SCHEMBL15434115

SCHEMBL15434115

CC(C)(C)c1ccc(Oc2cc(-c3ccccc3OC(F)(F)F)ccc2CCC(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 6/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.48
▸ FFAR1 O14842 6/20 0.44
▸ MME P08473 1/20 0.43
▸ PPARG P37231 3/20 0.43
▸ PPARD Q03181 3/20 0.43
▸ PPARA Q07869 3/20 0.43
▸ P2RY10 O00398 1/20 0.41
▸ PTGER1 P34995 1/20 0.40
▸ PTGER4 P35408 1/20 0.40
▸ PTGER3 P43115 1/20 0.40
▸ PTGER2 P43116 1/20 0.40
▸ GCGR P47871 1/20 0.40
▸ CTSA P10619 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
SCHEMBL15434180 0.87 NPSR1 (0.47) FFAR4NPSR1FFAR1PPARGPPARD
SCHEMBL15434111 0.87 NPSR1 (0.47) FFAR4NPSR1FFAR1PPARGPPARD
SCHEMBL15434130 0.85 FFAR1 (0.51) FFAR4NPSR1FFAR1MMEPPARG
SCHEMBL15434157 0.83 NPSR1 (0.51) NPSR1FFAR1PPARGPPARDPPARA
SCHEMBL15434117 0.82 NPSR1 (0.49) FFAR4NPSR1FFAR1PPARGPPARD
SCHEMBL15434119 0.81 NPSR1 (0.51) FFAR4NPSR1FFAR1PPARGPPARD
SCHEMBL15434172 0.81 FFAR1 (0.49) FFAR4NPSR1FFAR1MMEPPARG
SCHEMBL2535115 0.81 PTGER4 (0.53) FFAR4NPSR1FFAR1MMEPTGER1
SCHEMBL15434163 0.80 PPARG (0.48) NPSR1FFAR1PPARGPPARDPPARA
SCHEMBL15434147 0.80 FFAR4 (0.49) FFAR4NPSR1FFAR1MMEPPARG

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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