SCHEMBL9124643

SCHEMBL9124643

CC(O)c1ccc(-c2ccc(OCc3ccc(Cl)cc3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.54
MAOA P21397 1/20 0.54
MEN1 O00255 1/20 0.53
POLB P06746 1/20 0.53
MAPK1 P28482 1/20 0.53
KMT2A Q03164 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
APP P05067 1/20 0.53
FFAR1 O14842 1/20 0.52
NR4A2 P43354 1/20 0.51
RXRA P19793 1/20 0.51
RXRB P28702 1/20 0.51
DHFR P00374 1/20 0.50
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP3 P08254 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP13 P45452 1/20 0.47
MMP14 P50281 1/20 0.47

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
SCHEMBL11000264 0.95 MAOB (0.58) MAOBMAOAMEN1POLBMAPK1
SCHEMBL24533732 0.87 RXRA (0.58) APPFFAR1RXRARXRB
SCHEMBL9121973 0.84 ACACB (0.60) MAOBFFAR1
SCHEMBL15132940 0.84 RXRA (0.64) MAOBMAOAMEN1POLBMAPK1
SCHEMBL10722524 0.84 RXRA (0.64) MAOBMAOAMEN1POLBMAPK1
Biphenyl SCHEMBL9839827 0.83 ACACB (0.59) FFAR1
SCHEMBL9547782 0.81 MAOB (0.57) MAOBMAOAMEN1POLBMAPK1
SCHEMBL9126010 0.80 NR5A1 (0.53) MEN1KMT2ARXRARXRBMMP9
SCHEMBL11308298 0.80 ADRB2 (0.50) MAPK1FFAR1
SCHEMBL11753634 0.80 MAOB (0.58) MAOBMAOAMEN1POLBMAPK1

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
US-5447659-A Hydrolysis of the ester derivative with esterase to form the alcohol SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-09-05 US disclosed
US-5338484-A Optically active benzene derivatives, process for producing the same and liquid-crystalline substances containing said derivatives as active ingredient and optical switching elements SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-08-16 US disclosed
US-5274168-A Optically active benzene derivatives, process for producing the same and liquid-crystalline substances containing said derivatives as active ingredient and optical switching elements SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-12-28 US disclosed
EP-0288297-B1 OPTICALLY ACTIVE BENZENE DERIVATIVES AND PROCESS FOR PREPARATION THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-03-17 EP disclosed
EP-0284371-B1 NOVEL OPTICALLY ACTIVE BENZENE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND LIQUID-CRYSTALLINE SUBSTANCES CONTAINING SAID DERIVATIVES AS ACTIVE INGREDIENT AND OPTICAL SWITCHING ELEMENTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-09-16 EP disclosed
US-5002693-A Novel optically active benzene derivatives, process for producing the same and liquid-crystalline substances containing said derivatives as active ingredient and optical switching elements SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-03-26 US disclosed
US-4985590-A Optically active benzene derivatives and process for preparation thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-01-15 US disclosed