SCHEMBL4649562

SCHEMBL4649562

NC(=O)[C@H](CCC(=O)O)N(Cc1ccccc1)C(=O)c1ccc(-c2ccc(OCC3CCCCC3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 4/20 0.47
PARP10 Q53GL7 4/20 0.47
SLC2A1 P11166 1/20 0.43
PARP2 Q9UGN5 2/20 0.43
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
FFAR1 O14842 1/20 0.39
CHEK2 O96017 2/20 0.38
EPOR P19235 1/20 0.38
ALOX5 P09917 2/20 0.38
PTGES O14684 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.37
LPAR1 Q92633 1/20 0.37
LPAR5 Q9H1C0 1/20 0.37
AGER Q15109 3/20 0.37
MTNR1A P48039 1/20 0.37

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
SCHEMBL4648863 0.97 PARP15 (0.47) PARP15PARP10SLC2A1PARP2FNTA
SCHEMBL5653131 0.84 CYP1A2 (0.46) PARP10FFAR1EPORALOX5PTGES
SCHEMBL5653525 0.80 SRD5A2 (0.44) PARP10FFAR1ALOX5PTGESLPAR1
SCHEMBL27826145 0.78 TRPM8 (0.46) EPORTRPM8
SCHEMBL2246642 0.77 MMP12 (0.41) FFAR1ALOX5PTGES
SCHEMBL4369489 0.76 PTGES (0.45) FFAR1ALOX5PTGES
SCHEMBL4367868 0.75 TSHR (0.43) FFAR1CHEK2TRPM8
SCHEMBL5652505 0.75 KMT2A (0.40) EPORTRPM8
SCHEMBL4365889 0.74 PTGES (0.45) ALOX5PTGESTRPM8LPAR1
SCHEMBL2245542 0.74 PARP15 (0.54) PARP15PARP10PARP2FNTAFNTB

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
EP-1902014-A2 GLUTAMATE AGGRECANASE INHIBITORS Wyeth (US) 2008-03-26 EP claimed
WO-2007008994-A2 GLUTAMATE AGGRECANASE INHIBITORS WYETH (US) 2007-01-18 WO claimed