SCHEMBL2170913

SCHEMBL2170913

CC(C(N)=O)c1ccc(Oc2cccc(Cl)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 2/20 0.49
OGG1 O15527 1/20 0.49
PTGS1 P23219 1/20 0.49
ALOX5 P09917 1/20 0.46
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46
MGLL Q99685 1/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
CYP2D6 P10635 1/20 0.45
TNKS O95271 1/20 0.44
PARP15 Q460N3 1/20 0.44
PARP14 Q460N5 1/20 0.44
PARP10 Q53GL7 1/20 0.44
TNKS2 Q9H2K2 1/20 0.44
PARP2 Q9UGN5 1/20 0.44
ACACB O00763 2/20 0.44
ACACA Q13085 1/20 0.44
PTGER4 P35408 1/20 0.44
CHEK2 O96017 1/20 0.44

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
SCHEMBL2171656 0.85 EPHX1 (0.49) FNTAFNTBKMT2APARP15PARP14
SCHEMBL2173030 0.83 PARP10 (0.55) PTGS1ALOX5KMT2AMEN1CYP2D6
SCHEMBL5018845 0.81 MAPT (0.47) OGG1PTGS1FNTAFNTBMGLL
SCHEMBL7040469 0.79 PTGS1 (0.77) PTGS1ALOX5KMT2AMEN1CYP2D6
SCHEMBL7032448 0.79 PTGS1 (0.77) PTGS1ALOX5KMT2AMEN1CYP2D6
SCHEMBL2055566 0.78 TRPM8 (0.52) OGG1APP
SCHEMBL2172240 0.77 EPHX1 (0.50) ALOX5FNTAFNTBKMT2APARP15
SCHEMBL2169718 0.77 PARP10 (0.58) PTGS1ALOX5KMT2AMEN1PARP10
SCHEMBL10715309 0.76 MAPT (0.54) KMT2AMEN1NAAA
SCHEMBL5804600 0.75 OGG1 (0.69) OGG1KMT2AL3MBTL1

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-2346821-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS Exelixis, Inc. (US) 2011-07-27 EP disclosed