SCHEMBL7972708

SCHEMBL7972708

CCC(Oc1cccc2c1CCc1sc(Cc3ccccc3)nc1-2)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.39
PPARG P37231 5/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PTGDR2 Q9Y5Y4 5/20 0.36
ALOX5 P09917 1/20 0.36
FABP4 P15090 1/20 0.34
MCL1 Q07820 3/20 0.33
POLB P06746 1/20 0.33
BCL2 P10415 1/20 0.33

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
SCHEMBL7976456 0.85 PPARA (0.39) PPARAPPARGNPC1RAB9AALOX5
SCHEMBL7974272 0.85 PPARA (0.39) PPARAPPARGNPC1RAB9AALOX5
SCHEMBL7972424 0.81 PPARA (0.37) PPARAPPARGNPC1RAB9AALOX5
SCHEMBL7521850 0.81 PPARA (0.37) PPARAPPARGNPC1RAB9APTGDR2
SCHEMBL7522968 0.81 PTGDR2 (0.41) NPC1RAB9APTGDR2POLB
SCHEMBL7976492 0.80 ALOX5 (0.38) PPARAPPARGNPC1RAB9AALOX5
SCHEMBL7976474 0.80 PPARA (0.36) PPARAPPARGNPC1RAB9AALOX5
SCHEMBL7976455 0.79 PPARA (0.36) PPARAPPARGNPC1RAB9AALOX5
SCHEMBL7962788 0.78 PPARA (0.35) PPARAPPARGNPC1RAB9AALOX5
SCHEMBL7974210 0.76 ADORA1 (0.41) PPARAPPARGNPC1RAB9APTGDR2

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