SCHEMBL7104144

SCHEMBL7104144

COc1ccc(CCOc2ccc(C(=O)O)c(O)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.53
RAB9A P51151 5/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
ALDH1A1 P00352 2/20 0.53
CYP3A4 P08684 2/20 0.53
HPGD P15428 2/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
ATM Q13315 1/20 0.53
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
SLC5A1 P13866 1/20 0.51
SLC5A2 P31639 1/20 0.51
TSHR P16473 1/20 0.51
MAPT P10636 2/20 0.50
MAOB P27338 2/20 0.49
MAOA P21397 1/20 0.49
FFAR1 O14842 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL9305947 0.90 CA12 (0.51) ALDH1A1TSHRMAOBMAOAFFAR1
SCHEMBL8654378 0.89 XDH (0.49) NPC1RAB9AKMT2AMEN1MAOB
SCHEMBL29378251 0.88 PPARD (0.56) NPC1RAB9ASMN1; SMN2ALDH1A1CYP3A4
SCHEMBL51025 0.88 PPARD (0.56) NPC1RAB9ASMN1; SMN2ALDH1A1CYP3A4
SCHEMBL8067260 0.87 MAOB (0.58) MAOBMAOAFFAR1
SCHEMBL26936 0.87 PPARD (0.55) NPC1RAB9ASMN1; SMN2ALDH1A1CYP3A4
SCHEMBL9303488 0.87 PPARD (0.62) NPC1RAB9ASMN1; SMN2ALDH1A1CYP3A4
SCHEMBL9305932 0.87 PPARD (0.58) NPC1RAB9ASMN1; SMN2ALDH1A1CYP3A4
SCHEMBL7104145 0.87 TSHR (0.52) NPC1RAB9AALDH1A1CYP3A4HPGD
SCHEMBL8062812 0.84 APP (0.55) NPC1RAB9ASMN1; SMN2ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0949087-B1 Heat-fixable thermosensitive recording material OJI PAPER CO (JP) 2003-09-17 EP claimed
EP-0949087-B1 Heat-fixable thermosensitive recording material OJI PAPER CO (JP) 2003-09-17 EP disclosed