SCHEMBL8428837

SCHEMBL8428837

CCCCC1COCCO1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
EPHX1 P07099 1/20 0.52
CHRM2 P08172 1/20 0.48
CHRM4 P08173 1/20 0.48
CHRM5 P08912 1/20 0.48
CHRM3 P20309 1/20 0.48
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
THRB P10828 1/20 0.39
TDP1 Q9NUW8 1/20 0.34
CYP1A2 P05177 3/20 0.32
SPHK1 Q9NYA1 4/20 0.31
SPHK2 Q9NRA0 3/20 0.31
POLB P06746 1/20 0.30
HPGD P15428 1/20 0.30
HTR5A P47898 1/20 0.30

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
SCHEMBL12173956 0.98 ALDH1A1 (0.54) ALDH1A1EPHX1CHRM2CHRM4CHRM5
SCHEMBL6826843 0.94 ALDH1A1 (0.65) ALDH1A1EPHX1CHRM2CHRM4CHRM5
SCHEMBL11611467 0.92 ALDH1A1 (0.69) ALDH1A1EPHX1CHRM2CHRM4CHRM5
SCHEMBL1463562 0.92 ALDH1A1 (0.69) ALDH1A1EPHX1CHRM2CHRM4CHRM5
SCHEMBL28284618 0.92 ALDH1A1 (0.69) ALDH1A1EPHX1CHRM2CHRM4CHRM5
SCHEMBL11694128 0.92 ALDH1A1 (0.69) ALDH1A1EPHX1CHRM2CHRM4CHRM5
SCHEMBL4618624 0.92 ALDH1A1 (0.69) ALDH1A1EPHX1CHRM2CHRM4CHRM5
SCHEMBL1803193 0.92 ALDH1A1 (0.69) ALDH1A1EPHX1CHRM2CHRM4CHRM5
SCHEMBL11615684 0.92 ALDH1A1 (0.69) ALDH1A1EPHX1CHRM2CHRM4CHRM5
SCHEMBL28042954 0.92 ALDH1A1 (0.69) ALDH1A1EPHX1CHRM2CHRM4CHRM5

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
CN-101023094-A Preparation of alkyl-substituted 2-deoxy-2-fluoro-d-ribofuranosyl pyrimidines and purines and their derivatives PHARMASSET INC (US) 2007-08-22 CN claimed
US-3966647-A PHENYLETHYL ALCOHOL LEVER BROTHERS COMPANY (US) 1976-06-29 US claimed
EP-2735581-B1 COMPOSITION AND POLYMER ASAHI CHEMICAL IND (JP) 2021-07-14 EP disclosed
CN-109311929-A SECO Macrocyclic lactone compounds 菲德尔塔公司 2019-02-05 CN disclosed
CN-104231082-B The amino acid sequence for RANK-L for treating bone disease and illness and the polypeptide including it 埃博灵克斯股份有限公司 2018-12-21 CN disclosed
CN-105754099-B Composition and polymer 旭化成株式会社 2018-09-18 CN disclosed
CN-103246163-B Colored curable resin composition 住友化学株式会社 2018-06-12 CN disclosed
WO-2018089786-A1 ATG7 INHIBITORS AND THE USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
US-9738757-B2 Composition and polymer ASAHI KASEI CHEMICALS CORPORATION (JP) 2017-08-22 US disclosed
CN-107079924-A Enhanced antimicrobial superacid composite and the method used at reduced temperatures in sterile cleaning 艺康美国股份有限公司 2017-08-22 CN disclosed
CN-103826453-B Enhanced antimicrobial peracid compositions and methods for use in aseptic cleaning at reduced temperatures 艺康美国股份有限公司 2017-04-26 CN disclosed
US-20140121293-A1 Composition and Polymer ASAHI KASEI CHEMICALS CORPORATION (JP) 2014-05-01 US disclosed
US-5891935-A Process for preparing polymeric binders and their use for antifouling paint systems WITCO GMBH (DE) 1999-04-06 US disclosed
CN-1040371-A The preparation method of benzo two  alkanamine derivatives DU PONT (US) 1990-03-14 CN disclosed
US-4618362-A USING CYCLOHEXAN-1,3-DIONE DERIVATIVE BASF AKTIENGESELLSCHAFT (DE) 1986-10-21 US disclosed
EP-0005618-B1 DEODORANT PRODUCTS, PREPARATION AND USE THEREOF UNILEVER PLC (GB) 1982-06-09 EP disclosed
US-4124541-A Dioxa bicyclo dodecane and -hexadecane perfume compositions HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1978-11-07 US disclosed
US-4104247-A PROPYLENE HOMO- OR COPOLYMERS ALUMINIC ESTERS MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1978-08-01 US disclosed
US-4026813-A DETERGENTS LEVER BROTHERS COMPANY (US) 1977-05-31 US disclosed
US-3966647-A PHENYLETHYL ALCOHOL LEVER BROTHERS COMPANY (US) 1976-06-29 US disclosed