SCHEMBL9575813

SCHEMBL9575813

COc1ccc(C(=O)C2=CCC(O)(OC)C=C2)c(O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.55
RAB9A P51151 5/20 0.55
CYP3A4 P08684 6/20 0.49
HPGD P15428 5/20 0.49
LMNA P02545 5/20 0.49
CYP2C19 P33261 3/20 0.49
CYP1A2 P05177 2/20 0.49
PGR P06401 2/20 0.49
SLC6A2 P23975 2/20 0.49
ALOX15 P16050 2/20 0.49
ADORA3 P0DMS8 1/20 0.49
AR P10275 1/20 0.49
CHRM1 P11229 1/20 0.49
TBXA2R P21731 1/20 0.49
ADRA1A P35348 1/20 0.49
HIF1A Q16665 1/20 0.49
ALDH1A1 P00352 4/20 0.48
MAPK1 P28482 4/20 0.48
CYP2D6 P10635 1/20 0.48
PDE4A P27815 1/20 0.48

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
SCHEMBL7561572 0.78 HPGD (0.56) NPC1RAB9ACYP3A4HPGDLMNA
SCHEMBL19666821 0.76 NPC1 (0.43) NPC1RAB9ACYP3A4HPGDLMNA
SCHEMBL9551528 0.75 MEN1 (0.44) NPC1RAB9ACYP3A4HPGDLMNA
SCHEMBL1514997 0.73 NPC1 (1.00) NPC1RAB9ACYP3A4HPGDLMNA
SCHEMBL38652 0.73 NPC1 (1.00) NPC1RAB9ACYP3A4HPGDLMNA
SCHEMBL29365072 0.73 NPC1 (1.00) NPC1RAB9ACYP3A4HPGDLMNA
SCHEMBL3643054 0.72 ALDH1A1 (0.37) NPC1RAB9ACYP3A4HPGDLMNA
SCHEMBL30900821 0.72 NPC1 (0.89) NPC1RAB9ACYP3A4HPGDLMNA
SCHEMBL93206 0.72 NPC1 (0.89) NPC1RAB9ACYP3A4HPGDLMNA
SCHEMBL29419872 0.72 NPC1 (0.89) NPC1RAB9ACYP3A4HPGDLMNA

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