SCHEMBL27401830

SCHEMBL27401830

COCOc1ccc(CC(C(=O)OC)c2cccs2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
PPARG P37231 3/20 0.41
PPARD Q03181 3/20 0.41
PPARA Q07869 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
LTA4H P09960 1/20 0.40
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 1/20 0.37
HDAC1 Q13547 1/20 0.37

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
SCHEMBL6712871 0.83 ESR1 (0.47) ESR1ESR2ALDH1A1HPGDMEN1
SCHEMBL6177780 0.76 LDHA (0.56) PPARGPPARAALDH1A1HPGDMEN1
SCHEMBL10541755 0.74 ALDH1A1 (0.50) ALDH1A1HPGDMEN1KMT2ALMNA
SCHEMBL30174080 0.74 HPGD (0.41) ALDH1A1HPGDNPSR1RAB9ANPC1
SCHEMBL667372 0.74 HPGD (0.41) ALDH1A1HPGDNPSR1RAB9ANPC1
SCHEMBL29636408 0.71 HPGD (0.39) ALDH1A1HPGDMEN1KMT2ARAB9A
SCHEMBL10541760 0.70 LDHA (0.45) ALDH1A1HPGDMEN1KMT2ALMNA
SCHEMBL29198054 0.70 CYP2C19 (0.41) ALDH1A1HPGDMEN1KMT2ALMNA
SCHEMBL7201263 0.69 NPC1 (0.53) ALDH1A1HPGDMEN1KMT2ALMNA
SCHEMBL6934672 0.69 LTA4H (0.46) PPARGPPARDPPARAALDH1A1MEN1

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
CN-1104413-C Phenylalkylcarboxylic acid derivatives SANKYO CO (JP) 2003-04-02 CN disclosed