SCHEMBL10744475

SCHEMBL10744475

COc1ccc(CSc2ccc(C(F)(F)F)cc2C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 6/20 0.49
▸ PPARA Q07869 5/20 0.49
▸ PPARG P37231 3/20 0.49
▸ GAA P10253 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ FKBP1A P62942 1/20 0.47
▸ PTGDR2 Q9Y5Y4 1/20 0.45
▸ TRPV1 Q8NER1 1/20 0.45
▸ FFAR1 O14842 1/20 0.44
▸ FABP3 P05413 1/20 0.44
▸ FABP4 P15090 1/20 0.44
▸ AKR1C3 P42330 1/20 0.44
▸ AKR1C2 P52895 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL10740889 0.89 MAPT (0.49) PPARDPPARAPPARGGAAMAPT
SCHEMBL10746094 0.84 FKBP1A (0.53) PPARDPPARAPPARGHPGDL3MBTL1
SCHEMBL11817237 0.84 FFAR1 (0.47) PPARDPPARAPPARGMAPTNPSR1
SCHEMBL11818931 0.84 FKBP1A (0.50) PPARDPPARAPPARGHPGDFKBP1A
SCHEMBL11819040 0.83 FKBP1A (0.52) PPARDPPARAPPARGHPGDL3MBTL1
SCHEMBL11825095 0.83 FKBP1A (0.52) PPARDPPARAPPARGHPGDL3MBTL1
SCHEMBL11821280 0.83 FKBP1A (0.52) PPARDPPARAPPARGHPGDL3MBTL1
SCHEMBL11821844 0.83 FKBP1A (0.52) PPARDPPARAPPARGHPGDL3MBTL1
SCHEMBL11820125 0.83 FKBP1A (0.52) PPARDPPARAPPARGHPGDL3MBTL1
Ammonia Solution, Strong SCHEMBL11820558 0.83 FKBP1A (0.52) PPARDPPARAPPARGHPGDL3MBTL1

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-4663344-A ANTIPYRETICS, ANTIARTHRITIC AGENTS MERCK & CO., INC. (US) 1987-05-05 — — US disclosed
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