SCHEMBL6353529

SCHEMBL6353529

O=C(OC1=CCCCC1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.51
MAPT P10636 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
F2 P00734 1/20 0.44
LMNA P02545 1/20 0.44
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
STAT3 P40763 1/20 0.43
MEN1 O00255 4/20 0.43
SLC6A3 Q01959 1/20 0.42
TOP1 P11387 1/20 0.42
ESR1 P03372 2/20 0.41
ESR2 Q92731 2/20 0.41
HSD17B10 Q99714 2/20 0.41
JAK2 O60674 1/20 0.41
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9341204 0.95 KMT2A (0.49) KMT2AMAPTSMN1; SMN2F2LMNA
SCHEMBL8138563 0.91 KMT2A (0.39) KMT2AMAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL8132876 0.88 MAPK1 (0.41) KMT2AMAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL3143807 0.85 KMT2A (0.53) KMT2AMAPTSMN1; SMN2F2LMNA
SCHEMBL8140023 0.84 KDM4E (0.39) KMT2AMAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL25437291 0.80 SMN1; SMN2 (0.50) KMT2AMAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL5824031 0.79 HSD17B10 (0.51) KMT2AMAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL20503234 0.78 KMT2A (0.47) KMT2AMAPTLMNAALDH1A1CYP2C9
SCHEMBL444989 0.78 ALDH1A1 (0.47) KMT2AMAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL10663480 0.78 ALDH1A1 (0.33) KMT2AMAPTSMN1; SMN2LMNAALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5908956-A Method for producing trimethylhydroquinone diester DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-06-01 US claimed
CN-111514089-A Oral cavity relieving composition and application and preparation method thereof in oral cavity care product 上海绿瑞生物科技有限公司 2020-08-11 CN disclosed
CN-111514090-A Oral cavity relieving composition and application and preparation method thereof in toothpaste 上海绿瑞生物科技有限公司 2020-08-11 CN disclosed
US-20050165201-A1 Epoxidizing an alpha-halohydrin intermediate from a halide substitution-deesterification of an alpha -hydroxy ester derivative obtained by the coupling reaction of a phenol and a glycidyl ester BORIACK CLINTON J (US) 2005-07-28 US disclosed
US-20030149219-A1 Process for manufacturing a hydroxyester derivative intermediate and epoxy resins prepared therefrom BORIACK CLINTON J (US) 2003-08-07 US disclosed
EP-0916642-B1 Method for producing hydroquinone diester derivatives DAICEL CHEM (JP) 2003-05-21 EP disclosed
US-6534621-B2 Epoxidizing an alpha-halohydrin intermediate produced from an in situ halide substitution-deesterification of an alpha-hydroxy ester derivative DOW GLOBAL TECHNOLOGIES INC. 2003-03-18 US disclosed
EP-1290058-A2 PROCESS FOR MANUFACTURING A HYDROXYESTER DERIVATIVE INTERMEDIATE AND EPOXY RESINS PREPARED THEREFROM DOW GLOBAL TECHNOLOGIES INC. (US) 2003-03-12 EP disclosed
US-6444841-B1 2002-09-03 US disclosed
US-6444841-B2 REACTING A CYCLOHEX-2-ENE-1,4-DIONE DERIVATIVE IN THE PRESENCE OF AN ACID CATALYST WITH AN ACYLATING AGENT, E.G., ACETIC ANHYDRIDE; PURIFIED BY CRYSTALLIZATION TO CONTAIN ONLY 0-4% BY WEIGHT OF A CATECHOL DIESTER DERIVATIVE DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-09-03 US disclosed
US-5908956-A Method for producing trimethylhydroquinone diester DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-06-01 US disclosed
EP-0916642-A1 Hydroquinone diester derivatives and the method for producing the same Daicel Chemical Industries, Ltd. (JP) 1999-05-19 EP disclosed
EP-0850910-A1 A method for producing trimethylhydroquinone diester DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-07-01 EP disclosed
EP-0850912-A1 Trimethylcatechol diester and a method for producing the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-07-01 EP disclosed
EP-0428343-B1 A process for producing an alpha,beta-unsaturated carbonyl compound NIPPON ZEON CO (JP) 1994-05-04 EP disclosed
US-5118863-A Process for producing an α,β-unsaturated carbonyl compound NIPPON ZEON CO., LTD. (JP) 1992-06-02 US disclosed
EP-0428343-A1 A process for producing an alpha,beta-unsaturated carbonyl compound NIPPON ZEON CO., LTD. (JP) 1991-05-22 EP disclosed
US-4966835-A HAVING A BLOCKED BLEACH ACCELERATOR CLEAVABLE DURING PROCESSING TO ALLOW FOR RAPID BLEACHING AND DESILVERING FUJI PHOTO FILM CO., LTD. (JP) 1990-10-30 US disclosed
US-4232139-A Process for producing polymers or copolymers of olefins containing at least 3 carbon atoms MITSUI PETROCHEMICAL INDUSTRIES LTD. (JP) 1980-11-04 US disclosed
US-4069385-A FROM AN OLEFIN AND AN ORGANIC PEROXIDE WITH COPPER-SCHIFF BASE COMPEX AS CATALYST SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1978-01-17 US disclosed