SCHEMBL7976455

SCHEMBL7976455

CCC(Oc1cccc2c1CCc1sc(OCCC(c3ccccc3)c3ccccc3)nc1-2)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.36
PPARG P37231 3/20 0.36
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
LTB4R Q15722 1/20 0.33
FABP4 P15090 1/20 0.32
ALOX5 P09917 1/20 0.32
POLB P06746 1/20 0.31
TACR3 P29371 1/20 0.30
ADORA1 P30542 1/20 0.30
XIAP P98170 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL7514860 0.84 PTGIR (0.42) NPC1RAB9APOLB
SCHEMBL7976492 0.83 ALOX5 (0.38) PPARAPPARGNPC1RAB9AALOX5
SCHEMBL7521850 0.83 PPARA (0.37) PPARAPPARGNPC1RAB9AFABP4
SCHEMBL7974272 0.81 PPARA (0.39) PPARAPPARGNPC1RAB9ALTB4R
SCHEMBL7976456 0.81 PPARA (0.39) PPARAPPARGNPC1RAB9ALTB4R
SCHEMBL7972424 0.81 PPARA (0.37) PPARAPPARGNPC1RAB9AFABP4
SCHEMBL7962788 0.80 PPARA (0.35) PPARAPPARGNPC1RAB9AFABP4
SCHEMBL7976474 0.80 PPARA (0.36) PPARAPPARGNPC1RAB9AFABP4
SCHEMBL7972708 0.79 PPARA (0.39) PPARAPPARGNPC1RAB9AFABP4
SCHEMBL7962722 0.77 ADORA1 (0.38) PPARAPPARGFABP4POLBTACR3

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
US-6248766-B1 CARDIOVASCULAR DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-19 US disclosed