SCHEMBL6062885

SCHEMBL6062885

CCC(CCc1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.49
ACP3 P15309 1/20 0.46
KCNH2 Q12809 4/20 0.45
SLC6A4 P31645 4/20 0.45
SLC6A2 P23975 3/20 0.45
SLC6A3 Q01959 3/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
POLB P06746 1/20 0.44
LMNA P02545 1/20 0.43
F2 P00734 1/20 0.43
CHRM2 P08172 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
CHRM1 P11229 1/20 0.42
DRD1 P21728 1/20 0.42
ADRA1A P35348 1/20 0.42
OPRM1 P35372 1/20 0.42
DRD3 P35462 1/20 0.42
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL10014856 0.90 CYP19A1 (0.45) CYP19A1ACP3KCNH2SLC6A4SLC6A2
SCHEMBL6546324 0.89 F2 (0.45) CYP19A1ACP3LMNAF2
SCHEMBL6547438 0.89 ALDH1A1 (0.44) CYP19A1ACP3POLBF2
SCHEMBL6283212 0.88 KCNH2 (0.48) CYP19A1KCNH2SLC6A4SLC6A2SLC6A3
SCHEMBL9587606 0.87 SLC6A2 (0.49) CYP19A1SLC6A4SLC6A2SLC6A3CYP3A4
SCHEMBL1170712 0.87 CYP19A1 (0.40) CYP19A1ACP3KCNH2SLC6A4SLC6A2
SCHEMBL1538332 0.87 CYP19A1 (0.54) CYP19A1ACP3KCNH2SLC6A4SLC6A2
SCHEMBL29136598 0.86 CYP19A1 (0.48) CYP19A1KCNH2SLC6A4SLC6A2SLC6A3
SCHEMBL6283206 0.86 CYP19A1 (0.47) CYP19A1ACP3KCNH2SLC6A4SLC6A2
SCHEMBL27829880 0.84 ALDH1A1 (0.57) POLBSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3389720-A1 POLYACETAL POLYMERS, CONJUGATES, PARTICLES AND USES THEREOF The General Hospital Corporation (US) 2018-10-24 EP disclosed
EP-2947112-B1 METHOD FOR PRODUCING POLYBENZOXAZOLE RESIN TOKYO OHKA KOGYO CO LTD (JP) 2017-09-13 EP disclosed
WO-2017106630-A1 POLYACETAL POLYMERS, CONJUGATES, PARTICLES AND USES THEREOF THE GENERAL HOSPITAL CORPORATION (US) 2017-06-22 WO disclosed
US-20170115563-A1 ENERGY-SENSITIVE RESIN COMPOSITION TOKYO OHKA KOGYO CO., LTD. (JP) 2017-04-27 US disclosed
WO-2016158679-A1 ENERGY-SENSITIVE RESIN COMPOSITION 東京応化工業株式会社 2016-10-06 WO disclosed
WO-2015198887-A1 ENERGY-SENSITIVE RESIN COMPOSITION 東京応化工業株式会社 2015-12-30 WO disclosed
US-20150337084-A1 METHOD FOR PRODUCING POLYBENZOXAZOLE RESIN TOKYO OHKA KOGYO CO., LTD. (JP) 2015-11-26 US disclosed
EP-2947112-A1 METHOD FOR PRODUCING POLYBENZOXAZOLE RESIN TOKYO OHKA KOGYO CO., LTD. (JP) 2015-11-25 EP disclosed
CN-103459360-B Method for producing 4,4'-diformyldiphenylalkane MITSUBISHI GAS CHEMICAL CO 2015-06-10 CN disclosed
EP-2692717-B1 METHOD FOR PRODUCING 4,4'-DIFORMYLDIPHENYLALKANE MITSUBISHI GAS CHEMICAL CO (JP) 2015-05-13 EP disclosed
US-8110641-B2 Anionic polymerization method for styrene derivative containing pyridine as functional group GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-02-07 US disclosed
US-20090203861-A1 ANIONIC POLYMERIZATION METHOD FOR STYRENE DERIVATIVE CONTAINING PYRIDINE AS FUNCTIONAL GROUP GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-08-13 US disclosed
EP-1694357-A1 USE OF CATHEPSIN S INHIBITORS FOR TREATING AN IMMUNE RESPONSE CAUSED BY ADMINISTRATION OF A SMALL MOLECULE THERAPEUTIC OR BIOLOGIC AXYS PHARMACEUTICALS, INC. (US) 2006-08-30 EP disclosed
WO-2005058348-A1 USE OF CATHEPSIN S INHIBITORS FOR TREATING AN IMMUNE RESPONSE CAUSED BY ADMINISTRATION OF A SMALL MOLECULE THERAPEUTIC OR BIOLOGIC AXYS PHARMACEUTICALS, INC. (US) 2005-06-30 WO disclosed
EP-0717098-B1 A refrigerating machine oil and a fluid composition for use in a refrigerating machine NIPPON MITSUBISHI OIL CORP (JP) 2004-01-21 EP disclosed
CN-1449276-A Primary intermediates for oxidative dyeing of hair P & G CLAIROL INC (US) 2003-10-15 CN disclosed
US-5817251-A AROMATIC HYDROCARBON LUBRICANT NIPPON OIL CO., LTD. (JP) 1998-10-06 US disclosed
US-5711895-A Fluid composition for use in a refrigerating machine in which the refrigerating machine oil is at least one hydrocarbon compound of a formula consisting of two phenyl groups joined through an alkylene or alkenylene group NIPPON OIL CO., LTD. (JP) 1998-01-27 US disclosed
EP-0717098-A2 A refrigerating machine oil and a fluid composition for use in a refrigerating machine NIPPON OIL CO. LTD. (JP) 1996-06-19 EP disclosed
EP-0047998-A1 Electrically insulating oil composition Nippon Petrochemicals Co., Ltd. (JP) 1982-03-24 EP disclosed