SCHEMBL6991472

SCHEMBL6991472

COc1cccc(C[CH]c2ccc(F)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 3/20 0.58
MAOB P27338 2/20 0.53
TAAR1 Q96RJ0 3/20 0.46
IDO1 P14902 2/20 0.46
AGXT P21549 2/20 0.46
NQO2 P16083 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PKM P14618 1/20 0.45
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44

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
SCHEMBL4949651 0.89 RELA (0.54) MAOBTAAR1IDO1AGXTCHRM2
SCHEMBL27947937 0.85 MAOB (0.53) MAOBTAAR1IDO1AGXTCHRM2
SCHEMBL8081761 0.84 TAAR1 (0.46) MAOBTAAR1IDO1AGXTMEN1
SCHEMBL6077087 0.84 SMN1; SMN2 (0.48) NFE2L2TAAR1IDO1AGXTMEN1
SCHEMBL6993494 0.81 MAOB (0.59) MAOBMEN1KMT2APKM
SCHEMBL5360664 0.80 NFE2L2 (0.61) NFE2L2MAOBNQO2MEN1KMT2A
SCHEMBL8598224 0.80 NQO2 (0.50) MAOBTAAR1IDO1AGXTNQO2
SCHEMBL5941183 0.80 NFE2L2 (0.50) NFE2L2MAOBTAAR1IDO1AGXT
SCHEMBL7813380 0.77 MAOB (0.63) MAOB
SCHEMBL8305017 0.76 TAAR1 (0.58) MAOBTAAR1IDO1AGXTCHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1322617-A1 COMPOUNDS AND METHODS FOR MODULATION OF ESTROGEN RECEPTORS SIGNAL PHARMACEUTICALS, INC. (US) 2003-07-02 EP disclosed
WO-2002024653-A1 COMPOUNDS AND METHODS FOR MODULATION OF ESTROGEN RECEPTORS SIGNAL PHARMACEUTICALS, INC. (US) 2002-03-28 WO disclosed
EP-1163225-A1 COMPOUNDS AND METHODS FOR MODULATION OF ESTROGEN RECEPTORS SIGNAL PHARMACEUTICALS, INC. (US) 2001-12-19 EP disclosed
WO-2000055137-A1 COMPOUNDS AND METHODS FOR MODULATION OF ESTROGEN RECEPTORS SIGNAL PHARMACEUTICALS, INC. (US) 2000-09-21 WO disclosed