SCHEMBL15434172

SCHEMBL15434172

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

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 4/20 0.49
▸ PPARG P37231 6/20 0.47
▸ PPARA Q07869 6/20 0.47
▸ PPARD Q03181 5/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.46
▸ FFAR4 Q5NUL3 3/20 0.45
▸ RXRA P19793 3/20 0.44
▸ NR1H2 P55055 2/20 0.44
▸ NR1H3 Q13133 2/20 0.44
▸ MME P08473 1/20 0.42
▸ RXRB P28702 1/20 0.42
▸ RXRG P48443 1/20 0.42
▸ CTSK P43235 1/20 0.41

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
SCHEMBL15434157 0.88 NPSR1 (0.51) FFAR1PPARGPPARAPPARDNPSR1
SCHEMBL15434130 0.88 FFAR1 (0.51) FFAR1PPARGPPARAPPARDNPSR1
SCHEMBL15434111 0.85 NPSR1 (0.47) FFAR1PPARGPPARAPPARDNPSR1
SCHEMBL15434180 0.85 NPSR1 (0.47) FFAR1PPARGPPARAPPARDNPSR1
SCHEMBL15434119 0.84 NPSR1 (0.51) FFAR1PPARGPPARAPPARDNPSR1
SCHEMBL15434104 0.83 PPARG (0.49) FFAR1PPARGPPARAPPARDNPSR1
SCHEMBL15434163 0.83 PPARG (0.48) FFAR1PPARGPPARAPPARDNPSR1
SCHEMBL15434113 0.82 PPARG (0.44) FFAR1PPARGPPARAPPARDNPSR1
SCHEMBL15434094 0.82 FFAR4 (0.51) FFAR1PPARGPPARAPPARDNPSR1
SCHEMBL15434146 0.81 PPARG (0.45) FFAR1PPARGPPARAPPARDNPSR1

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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