SCHEMBL15434130

SCHEMBL15434130

CC(C)(C)c1ccc(Oc2cc(-c3cccc(OC(F)(F)F)c3)ccc2CCC(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 5/20 0.51
▸ FFAR4 Q5NUL3 5/20 0.51
▸ PPARG P37231 4/20 0.48
▸ PPARD Q03181 4/20 0.48
▸ PPARA Q07869 4/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.47
▸ MME P08473 1/20 0.46
▸ SLC13A5 Q86YT5 1/20 0.45
▸ MAPK14 Q16539 1/20 0.40
▸ GCGR P47871 1/20 0.40
▸ CTSA P10619 1/20 0.40
▸ SERPINE1 P05121 1/20 0.39

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
SCHEMBL15434094 0.92 FFAR4 (0.51) FFAR1FFAR4PPARGPPARDPPARA
SCHEMBL15434111 0.92 NPSR1 (0.47) FFAR1FFAR4PPARGPPARDPPARA
SCHEMBL15434180 0.92 NPSR1 (0.47) FFAR1FFAR4PPARGPPARDPPARA
SCHEMBL15434113 0.88 PPARG (0.44) FFAR1FFAR4PPARGPPARDPPARA
SCHEMBL15434172 0.88 FFAR1 (0.49) FFAR1FFAR4PPARGPPARDPPARA
SCHEMBL15429184 0.86 CTSS (0.42) FFAR1FFAR4PPARGSLC13A5MAPK14
SCHEMBL15434157 0.86 NPSR1 (0.51) FFAR1PPARGPPARDPPARANPSR1
SCHEMBL15434117 0.85 NPSR1 (0.49) FFAR1FFAR4PPARGPPARDPPARA
SCHEMBL15434115 0.85 FFAR4 (0.53) FFAR1FFAR4PPARGPPARDPPARA
SCHEMBL15434106 0.84 FFAR1 (0.48) FFAR1FFAR4PPARGPPARDPPARA

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-8633245-B2 PAI-1 inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2014-01-21 — — US disclosed
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