SCHEMBL7889486

SCHEMBL7889486

c1ccc(CC(Cc2ccccc2)OC(Cc2ccccc2)Cc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.52
TAAR1 Q96RJ0 4/20 0.48
SLC6A2 P23975 2/20 0.48
SIGMAR1 Q99720 2/20 0.48
MAOA P21397 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
CYP2A6 P11509 1/20 0.48
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
CYP1A2 P05177 1/20 0.46
SLC18A2 Q05940 1/20 0.44
ANPEP P15144 1/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.43
SRR Q9GZT4 1/20 0.43
ALPI P09923 1/20 0.43
PKM P14618 1/20 0.43
PTGS1 P23219 1/20 0.43
XIAP P98170 1/20 0.43

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
Ammonia Solution, Strong SCHEMBL15012391 0.97 EPHX1 (0.50) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL3685154 0.85 TRPA1 (0.48) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL3244084 0.85 EPHX1 (0.44) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL106764 0.85 EPHX1 (0.44) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL4344985 0.82 TRPA1 (0.44) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL453958 0.82 TDP1 (0.43) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL11233017 0.82 ALDH1A1 (0.47) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL8750563 0.82 CTSK (0.50) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL11863625 0.82 TAAR1 (0.48) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL4953348 0.80 CTSK (0.51) TAAR1SLC6A2SIGMAR1MAOASLC6A4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1778462-A Surface activator containing dibenzomethyl ether, its formula system and use for triple oil extraction LIU CHUNDE (CN) 2006-05-31 CN disclosed
US-6190580-B1 DIARYL-NAPHTHOPYRAN PHOTOCHROMIC SUBSTANCE OF GIVEN LINKAGE FORMULA WHICH HAVE A REDUCED TENDENCY TO MIGRATE IN PLASTICS; COMPOUNDS MADE BY ACYLATION FOLLOWED BY NUCLEOPHILIC ADDITION OF METAL ACETYLIDE AND CONDENSATION WITH A DIARYL ALCOHOL OPTISCHE WERKE G. RODENSTOCK (DE) 2001-02-20 US disclosed
US-6036890-A STABLE PHOTOCHROMIC DYE; SUNGLASS LENSES OPTISCHE WERKE G. RODENSTOCK (DE) 2000-03-14 US disclosed
EP-0770116-B1 DIARYL-2H-NAPHTHOPYRANES RODENSTOCK OPTIK G (DE) 1999-09-22 EP disclosed
US-5952515-A PHOTOCHROMIC SUBSTANCE HAS AN ARYL SUBSTITUENT WHICH REDUCES THE MIGRATION OF THE MOLECULES IN PLASTICS OPTISCHE WERKE G. RODENSTOCK (DE) 1999-09-14 US disclosed
EP-0770116-A1 DIARYL-2H-NAPHTHOPYRANES Optische Werke G. Rodenstock (DE) 1997-05-02 EP disclosed
WO-1996001884-A1 DIARYL-2H-NAPHTHOPYRANES OPTISCHE WERKE G. RODENSTOCK (DE) 1996-01-25 WO disclosed