SCHEMBL4650065

SCHEMBL4650065

NC(=O)CC[C@@H](C(=O)O)N(Cc1ccccc1)C(=O)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.44
F10 P00742 1/20 0.43
AKR1C3 P42330 1/20 0.43
EPOR P19235 1/20 0.43
FFAR1 O14842 1/20 0.43
PTGES O14684 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
LPAR1 Q92633 3/20 0.41
TNKS O95271 1/20 0.40
PARP15 Q460N3 1/20 0.40
PARP14 Q460N5 1/20 0.40
PARP10 Q53GL7 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
ERCC5 P28715 1/20 0.40
FEN1 P39748 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL4623713 0.87 TRPM8 (0.46) TRPM8F10AKR1C3EPORFFAR1
SCHEMBL4371351 0.78 KMT2A (0.40) TRPM8KMT2AMEN1ALDH1A1LMNA
SCHEMBL3578758 0.78 PTGES (0.51) FFAR1PTGESLPAR1ALOX5LPAR5
SCHEMBL3584964 0.77 F7 (0.44) TRPM8F10PTGESALOX5
SCHEMBL3577149 0.77 FFAR1 (0.48) FFAR1PTGESPARP10ALOX5
SCHEMBL3588588 0.77 ALOX5 (0.52) EPORFFAR1PTGESPARP10ALOX5
SCHEMBL3591193 0.77 ADAMTS4 (0.41) TRPM8PTGES
SCHEMBL3585006 0.76 ACACB (0.44) TRPM8FFAR1PTGESKMT2AMEN1
SCHEMBL3584344 0.75 MAOB (0.53) PTGESPARP10ALOX5
SCHEMBL3589183 0.75 PARP15 (0.53) FFAR1PTGESPARP15PARP14PARP10

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 disclosed
WO-2007008994-A2 GLUTAMATE AGGRECANASE INHIBITORS WYETH (US) 2007-01-18 WO disclosed