SCHEMBL15434147

SCHEMBL15434147

CC(C)(C)c1ccc(Oc2cccc(-c3ccc(OC(F)(F)F)cc3)c2CCC(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 8/20 0.49
▸ FFAR1 O14842 6/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.44
▸ LTB4R Q15722 1/20 0.42
▸ NR1H4 Q96RI1 3/20 0.42
▸ EPHX2 P34913 1/20 0.42
▸ TRPV1 Q8NER1 1/20 0.42
▸ PPARG P37231 1/20 0.42
▸ PPARA Q07869 1/20 0.42
▸ GCGR P47871 2/20 0.41
▸ ADCY6 O43306 1/20 0.41
▸ ADCY3 O60266 1/20 0.41
▸ ADCY9 O60503 1/20 0.41
▸ ADCY5 O95622 1/20 0.41
▸ ADCY8 P40145 1/20 0.41
▸ ADCY7 P51828 1/20 0.41
▸ ADCY2 Q08462 1/20 0.41
▸ ADCY1 Q08828 1/20 0.41
▸ ADCY4 Q8NFM4 1/20 0.41
▸ GLP1R P43220 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
SCHEMBL15429148 0.85 SLC6A2 (0.41) FFAR4FFAR1NPSR1NR1H4EPHX2
SCHEMBL15434126 0.83 FFAR1 (0.48) FFAR4FFAR1LTB4REPHX2TRPV1
SCHEMBL13580818 0.82 TRPV1 (0.43) FFAR4FFAR1NPSR1NR1H4EPHX2
SCHEMBL15434115 0.80 FFAR4 (0.53) FFAR4FFAR1NPSR1PPARGPPARA
SCHEMBL15434111 0.80 NPSR1 (0.47) FFAR4FFAR1NPSR1NR1H4EPHX2
SCHEMBL15434180 0.80 NPSR1 (0.47) FFAR4FFAR1NPSR1NR1H4EPHX2
SCHEMBL2536068 0.80 FFAR1 (0.46) FFAR4FFAR1NPSR1NR1H4EPHX2
SCHEMBL15434130 0.78 FFAR1 (0.51) FFAR4FFAR1NPSR1PPARGPPARA
SCHEMBL15434148 0.78 TRPV1 (0.41) FFAR4NPSR1NR1H4EPHX2TRPV1
SCHEMBL15434125 0.77 FFAR1 (0.47) FFAR4FFAR1NPSR1NR1H4EPHX2

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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