SCHEMBL3402387

SCHEMBL3402387

COc1ccc(C(=O)c2ccccc2-n2cc(O)c3c(Cl)cccc32)c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.44
CYP1A2 P05177 3/20 0.44
HPGD P15428 3/20 0.44
CYP2C19 P33261 3/20 0.44
PGR P06401 2/20 0.44
SLC6A2 P23975 2/20 0.44
CYP3A4 P08684 2/20 0.44
ADORA3 P0DMS8 1/20 0.44
AR P10275 1/20 0.44
CHRM1 P11229 1/20 0.44
ALOX15 P16050 1/20 0.44
TBXA2R P21731 1/20 0.44
ADRA1A P35348 1/20 0.44
HIF1A Q16665 1/20 0.44
ABCG2 Q9UNQ0 2/20 0.43
NPC1 O15118 7/20 0.42
RAB9A P51151 7/20 0.41
USP2 O75604 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41

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
SCHEMBL3408784 0.85 LMNA (0.41) LMNACYP1A2HPGDCYP2C19PGR
SCHEMBL3407920 0.84 LMNA (0.48) LMNACYP1A2HPGDCYP2C19PGR
SCHEMBL3409035 0.82 MAPT (0.44) LMNACYP1A2HPGDCYP2C19PGR
SCHEMBL157543 0.79 NPC1 (0.42) NPC1RAB9A
SCHEMBL27856157 0.79 NPC1 (0.42) NPC1RAB9A
SCHEMBL157544 0.79 NPC1 (0.42) NPC1RAB9A
SCHEMBL157542 0.78 SLC5A2 (0.37) LMNAABCG2NPC1RAB9ASTING1
SCHEMBL3409491 0.77 ALDH1A1 (0.43) LMNACYP1A2HPGDCYP2C19CYP3A4
SCHEMBL3407747 0.77 CNR2 (0.39) HPGDCYP3A4KMT2AMEN1MAPT
SCHEMBL149055 0.76 NPC1 (0.47) LMNACYP1A2HPGDCYP2C19PGR

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-2256103-A1 Novel indicator platform Biosynth AG (CH) 2010-12-01 EP disclosed