SCHEMBL10419232

SCHEMBL10419232

CCOC(=O)C(C#N)CCCc1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.46
PPARG P37231 3/20 0.46
EPHX2 P34913 3/20 0.41
MAPT P10636 5/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
LMNA P02545 2/20 0.39
ALOX12 P18054 2/20 0.39
CTSC P53634 1/20 0.39
TNF P01375 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HPGD P15428 1/20 0.39
CCR6 P51684 1/20 0.39
RUNX1 Q01196 1/20 0.39
CBFB Q13951 1/20 0.39
HKDC1 Q2TB90 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NOD2 Q9HC29 1/20 0.39
GPR35 Q9HC97 1/20 0.39
NOD1 Q9Y239 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
SCHEMBL10419972 0.95 PPARA (0.44) PPARAPPARGEPHX2MAPTALDH1A1
SCHEMBL10420226 0.95 PPARA (0.44) PPARAPPARGEPHX2MAPTALDH1A1
SCHEMBL11357277 0.92 ALDH1A1 (0.42) PPARAPPARGEPHX2MAPTALDH1A1
SCHEMBL9039166 0.83 CYP4A11 (0.52) MAPTALDH1A1KDM4ELMNAALOX12
SCHEMBL11348091 0.83 EPHX2 (0.48) PPARAPPARGEPHX2MAPTALDH1A1
SCHEMBL11038591 0.81 PPARA (0.51) PPARAPPARGEPHX2MAPTALDH1A1
SCHEMBL9343047 0.80 CYP4A11 (0.53) MAPTALDH1A1KDM4ELMNAALOX12
SCHEMBL15445639 0.79 CYP1A2 (0.41) MAPTALDH1A1LMNAALOX12CYP1A2
SCHEMBL11205164 0.79 PPARA (0.56) PPARAPPARGEPHX2MAPTALDH1A1
SCHEMBL9343689 0.79 CYP4A11 (0.52) MAPTALDH1A1KDM4ELMNAALOX12

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4933367-A Carboxylic acid derivatives, processes for the preparation thereof, the use thereof, and pharmaceutical compositions which contain these compounds BOEHRINGER MANNHEIM GMBH (DE) 1990-06-12 US disclosed
EP-0226636-B1 NEW CARBOXYLIC ACID DERIVATIVES, THEIR MANUFACTURING PROCESS, USE AND MEDICINES CONTAINING THESE COMPOUNDS Roche Diagnostics GmbH (DE) 1989-02-08 EP disclosed