SCHEMBL15434113

SCHEMBL15434113

CC(C)(C)c1cccc(Oc2cc(-c3ccc(OC(F)(F)F)cc3)ccc2CCC(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 4/20 0.44
▸ PPARD Q03181 4/20 0.44
▸ PPARA Q07869 4/20 0.44
▸ FFAR1 O14842 5/20 0.44
▸ FFAR4 Q5NUL3 5/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.42
▸ MME P08473 1/20 0.41
▸ SLC13A5 Q86YT5 1/20 0.40
▸ RXRA P19793 2/20 0.40
▸ RXRB P28702 2/20 0.40
▸ RXRG P48443 1/20 0.40
▸ SERPINE1 P05121 2/20 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 0.94 FFAR4 (0.51) PPARGPPARDPPARAFFAR1FFAR4
SCHEMBL15434180 0.90 NPSR1 (0.47) PPARGPPARDPPARAFFAR1FFAR4
SCHEMBL15434111 0.90 NPSR1 (0.47) PPARGPPARDPPARAFFAR1FFAR4
SCHEMBL15434130 0.88 FFAR1 (0.51) PPARGPPARDPPARAFFAR1FFAR4
SCHEMBL15434106 0.86 FFAR1 (0.48) PPARGPPARDPPARAFFAR1FFAR4
SCHEMBL15434118 0.85 PPARD (0.46) PPARGPPARDPPARAFFAR1FFAR4
SCHEMBL15434116 0.84 PPARG (0.51) PPARGPPARDPPARAFFAR1FFAR4
SCHEMBL15434138 0.83 FFAR4 (0.47) PPARGPPARDPPARAFFAR1FFAR4
SCHEMBL15434117 0.83 NPSR1 (0.49) PPARGPPARDPPARAFFAR1FFAR4
SCHEMBL15434102 0.83 FFAR1 (0.50) PPARGPPARDPPARAFFAR1FFAR4

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
Send feedback