SCHEMBL9575810

SCHEMBL9575810

COc1ccc(C(=O)C2C=CC(O)(OC)C=C2)c(O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.56
RAB9A P51151 5/20 0.56
MAPK1 P28482 4/20 0.51
HPGD P15428 3/20 0.51
CYP3A4 P08684 3/20 0.51
ALDH1A1 P00352 3/20 0.51
LMNA P02545 4/20 0.50
CYP2C19 P33261 3/20 0.50
CYP1A2 P05177 2/20 0.50
PGR P06401 2/20 0.50
SLC6A2 P23975 2/20 0.50
ADORA3 P0DMS8 1/20 0.50
AR P10275 1/20 0.50
CHRM1 P11229 1/20 0.50
ALOX15 P16050 1/20 0.50
TBXA2R P21731 1/20 0.50
ADRA1A P35348 1/20 0.50
HIF1A Q16665 1/20 0.50
CYP2D6 P10635 1/20 0.49
PDE4A P27815 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
SCHEMBL7561568 0.78 HPGD (0.60) NPC1RAB9AMAPK1HPGDCYP3A4
SCHEMBL19666820 0.76 NPC1 (0.44) NPC1RAB9AMAPK1HPGDCYP3A4
SCHEMBL1514997 0.74 NPC1 (1.00) NPC1RAB9AMAPK1HPGDCYP3A4
SCHEMBL29365072 0.74 NPC1 (1.00) NPC1RAB9AMAPK1HPGDCYP3A4
SCHEMBL38652 0.74 NPC1 (1.00) NPC1RAB9AMAPK1HPGDCYP3A4
SCHEMBL29380756 0.72 NPC1 (0.96) NPC1RAB9AMAPK1HPGDCYP3A4
SCHEMBL2526579 0.72 NPC1 (0.96) NPC1RAB9AMAPK1HPGDCYP3A4
SCHEMBL10453973 0.72 NPC1 (0.96) NPC1RAB9AMAPK1HPGDCYP3A4
SCHEMBL9551525 0.72 CES2 (0.48) NPC1MAPK1HPGDCYP3A4ALDH1A1
SCHEMBL11137371 0.71 CA12 (0.43) NPC1RAB9AMAPK1HPGDCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0527274-A1 Photo-deterioration inhibitor and composition containing the same DAIKYO GOMU SEIKO LTD. (JP) 1993-02-17 EP disclosed