SCHEMBL5379998

SCHEMBL5379998

Oc1ccc(-c2cccc(Cl)c2)cc1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.70
MEN1 O00255 1/20 0.70
KMT2A Q03164 1/20 0.70
ALOX5 P09917 1/20 0.67
HSD17B1 P14061 2/20 0.64
HSD17B2 P37059 2/20 0.64
ESR2 Q92731 4/20 0.60
ABL1 P00519 1/20 0.59
ABCB1 P08183 1/20 0.59
BCR P11274 1/20 0.59
TAAR1 Q96RJ0 2/20 0.59
TSHR P16473 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
MMP3 P08254 1/20 0.54
BCL2L1 Q07817 1/20 0.54
MAOB P27338 2/20 0.53

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
SCHEMBL29434858 1.00 ESR1 (0.70) ESR1MEN1KMT2AALOX5HSD17B1
Phenol SCHEMBL28114880 0.89 TSHR (0.60) ESR1MEN1KMT2AALOX5HSD17B1
SCHEMBL16394285 0.88 TAAR1 (0.71) ALOX5ESR2TAAR1MAOB
SCHEMBL31491189 0.88 TAAR1 (0.71) ALOX5ESR2TAAR1MAOB
SCHEMBL20669453 0.85 TAAR1 (0.68) ESR1MEN1KMT2AALOX5ESR2
SCHEMBL5037644 0.85 HSD17B1 (0.68) ESR1MEN1KMT2AALOX5HSD17B1
SCHEMBL1029061 0.84 TSHR (0.73) ESR1ALOX5HSD17B1HSD17B2ESR2
SCHEMBL3924021 0.84 ESR2 (0.71) ESR1ALOX5HSD17B1HSD17B2ESR2
SCHEMBL1520884 0.83 TAAR1 (0.65) ALOX5ESR2TAAR1MAOB
SCHEMBL16394095 0.83 TAAR1 (0.65) ALOX5ESR2TAAR1TSHRMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0227043-A2 Composite semipermeable membrane and process for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-07-01 EP claimed
CN-109503686-B Novel nucleoside phosphoramidate compounds and uses thereof 南京圣和药业股份有限公司 2022-03-11 CN disclosed
CN-108314697-B Novel nucleoside phosphoramidate compounds and uses thereof 南京圣和药业股份有限公司 2021-05-07 CN disclosed
CN-108546277-B Novel nucleoside phosphoramidate compounds and uses thereof 南京圣和药业股份有限公司 2021-05-07 CN disclosed
CN-109790149-A PHENOXYTRIAZOLES 豪夫迈·罗氏有限公司 2019-05-21 CN disclosed
CN-109607826-A The biological removal method of acute biological toxicity in ozone process 南京理工大学 2019-04-12 CN disclosed
CN-109503686-A New nucleoside phosphoramidate compound and its application 南京圣和药业股份有限公司 2019-03-22 CN disclosed
CN-109415330-A Novel difluoro keto acyl amine derivative as HTRA1 inhibitor 豪夫迈·罗氏有限公司 2019-03-01 CN disclosed
US-9963480-B2 Nucleoside phosphoramidate compound and use thereof NANJING SANHOME PHARMACEUTICAL CO., LTD. (CN) 2018-05-08 US disclosed
CN-107522654-A New α aminoamide derivatives and its medical usage 中国人民解放军军事医学科学院毒物药物研究所 2017-12-29 CN disclosed
US-5977105-A Compounds ASTRA PHARMAEUTICALS LTD. (GB) 1999-11-02 US disclosed
CN-1208403-A Compounds BRITISH ASTRA PHARMACEUTICALS (GB) 1999-02-17 CN disclosed
EP-0865431-A2 COMPOUNDS Astra Pharmaceuticals Limited (GB) 1998-09-23 EP disclosed
WO-1997020815-A1 COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1997-06-12 WO disclosed
EP-0227043-A2 Composite semipermeable membrane and process for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-07-01 EP disclosed
US-4483961-A Polymeric cyclopentadiene derivatives, method for preparing and use thereof ASHLAND OIL, INC. (US) 1984-11-20 US disclosed
US-4482653-A Cyclopentadiene derivatives, method for preparing, and use thereof ASHLAND OIL, INC. (US) 1984-11-13 US disclosed
US-4464521-A EPOXIDIZED FULVENES AS BINDER FOR AGGREGATE; FOUNDRY BINDERS ASHLAND OIL, INC. (US) 1984-08-07 US disclosed
US-4412088-A CURABLE BINDER COMPOSITIONS ASHLAND OIL, INC. (US) 1983-10-25 US disclosed
US-4390675-A EPOXYFULVENE, ACID CATALYST ASHLAND OIL, INC. (US) 1983-06-28 US disclosed