SCHEMBL14939009

SCHEMBL14939009

O=C1c2cccc(O)c2C(=O)C1c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.62
TP53 P04637 4/20 0.62
MAPK1 P28482 3/20 0.62
LMNA P02545 2/20 0.62
CYP3A4 P08684 2/20 0.62
CYP1A2 P05177 1/20 0.62
HTR2B P41595 1/20 0.62
MEN1 O00255 6/20 0.55
KMT2A Q03164 6/20 0.55
KDM4E B2RXH2 2/20 0.55
MAOA P21397 4/20 0.47
RAB9A P51151 4/20 0.46
NPC1 O15118 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
GAA P10253 2/20 0.46
MAPK10 P53779 1/20 0.46
HPGD P15428 3/20 0.46
ALDH1A1 P00352 2/20 0.46
ALOX15 P16050 2/20 0.46
HSD17B10 Q99714 2/20 0.46

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
SCHEMBL10623023 0.80 MAPT (0.64) MAPTTP53MAPK1LMNACYP3A4
SCHEMBL14940489 0.80 MAPT (0.64) MAPTTP53MAPK1LMNACYP3A4
SCHEMBL3500770 0.80 TP53 (0.64) MAPTTP53MAPK1LMNACYP3A4
SCHEMBL14939430 0.79 MAPT (0.62) MAPTTP53MAPK1LMNACYP3A4
Phenindione SCHEMBL33831 0.78 MAPT (1.00) MAPTTP53MAPK1LMNACYP3A4
Phenindione SCHEMBL29388073 0.78 MAPT (1.00) MAPTTP53MAPK1LMNACYP3A4
SCHEMBL10559114 0.76 MAPT (0.95) MAPTTP53MAPK1LMNACYP3A4
Phenindione SCHEMBL1443973 0.76 MAPT (0.95) MAPTTP53MAPK1LMNACYP3A4
Phenindione SCHEMBL6827577 0.76 MAPT (0.95) MAPTTP53MAPK1LMNACYP3A4
SCHEMBL14939639 0.76 MAPT (0.58) MAPTTP53MAPK1LMNACYP3A4

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
WO-2013068785-A1 INDANONE AND INDANDIONE DERIVATIVES AND HETEROCYCLIC ANALOGS ACTELION PHARMACEUTICALS LTD (CH) 2013-05-16 WO disclosed