SCHEMBL9958285

SCHEMBL9958285

CCC(Cc1nc(-c2ccccc2)cs1)Nc1ccc(COc2ccc(CCC(=O)OC)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.48
MAPK1 P28482 1/20 0.40
PPARD Q03181 3/20 0.40
VDR P11473 2/20 0.40
PPARA Q07869 1/20 0.40
PPARG P37231 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
ALOX5 P09917 1/20 0.39
APP P05067 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
LTA4H P09960 1/20 0.39
EPHX2 P34913 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
SCHEMBL1745483 0.79 BCHE (0.51) FFAR1MAPK1PPARDVDRPPARA
SCHEMBL3921153 0.78 FFAR1 (0.44) FFAR1MAPK1PPARDVDRPPARA
SCHEMBL1745485 0.78 FFAR1 (0.53) FFAR1MAPK1PPARDVDRPTPN1
SCHEMBL1747386 0.77 TP53 (0.54) FFAR1MAPK1PPARDVDRAPP
SCHEMBL1745242 0.77 MAPT (0.52) FFAR1MAPK1PPARDVDRAPP
SCHEMBL1745444 0.76 KMT2A (0.48) FFAR1PPARDVDR
SCHEMBL1746563 0.76 KMT2A (0.49) FFAR1PPARDVDRPPARGAPP
SCHEMBL1747402 0.75 FFAR1 (0.48) FFAR1PPARDVDRPTPN2PTPN1
SCHEMBL1745481 0.75 NPSR1 (0.47) FFAR1PPARDVDR
SCHEMBL3920081 0.74 FFAR1 (0.45) FFAR1PPARDVDRPPARAFFAR4

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-1698624-B1 PHENYLPROPANOIC ACID DERIVATIVES TAKEDA PHARMACEUTICAL (JP) 2012-06-27 EP disclosed