SCHEMBL3882264

SCHEMBL3882264

Cc1ccc(COc2c(-c3ccc4ccccc4c3)cc(CCC(=O)O)cc2[N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
THRA P10827 3/20 0.51
THRB P10828 3/20 0.51
FFAR1 O14842 13/20 0.47
FFAR4 Q5NUL3 10/20 0.47

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
SCHEMBL3885405 0.92 FFAR1 (0.46) THRATHRBFFAR1FFAR4
SCHEMBL3881486 0.91 CCNC (0.45) THRATHRBFFAR1FFAR4
SCHEMBL3882277 0.88 FFAR4 (0.49) THRATHRBFFAR1FFAR4
SCHEMBL3891606 0.86 PTGER1 (0.39) FFAR1FFAR4
SCHEMBL3682378 0.86 CCNC (0.47) THRATHRB
SCHEMBL3682322 0.85 FFAR4 (0.47) FFAR1FFAR4
SCHEMBL3885715 0.85 FFAR4 (0.43) FFAR1FFAR4
SCHEMBL3883497 0.84 THRA (0.55) THRATHRBFFAR1FFAR4
SCHEMBL3885728 0.83 FFAR1 (0.48) FFAR1FFAR4
SCHEMBL3882034 0.83 THRA (0.49) THRATHRBFFAR1FFAR4

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
EP-1477472-B1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2009-01-14 EP claimed