SCHEMBL4623713

SCHEMBL4623713

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.46
EPOR P19235 1/20 0.45
AKR1C3 P42330 1/20 0.43
PPARG P37231 2/20 0.42
PTGES O14684 1/20 0.42
F10 P00742 1/20 0.41
LPAR1 Q92633 1/20 0.41
FFAR1 O14842 3/20 0.41
FFAR4 Q5NUL3 2/20 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
SCHEMBL4650065 0.87 TRPM8 (0.44) TRPM8EPORAKR1C3PTGESF10
SCHEMBL27826145 0.86 TRPM8 (0.46) TRPM8EPORPPARGMEN1KMT2A
SCHEMBL5650478 0.85 TRPM8 (0.50) TRPM8PPARGPTGESMEN1KMT2A
SCHEMBL5653525 0.84 SRD5A2 (0.44) PTGESLPAR1FFAR1FFAR4PARP10
SCHEMBL5650382 0.79 MEN1 (0.46) LPAR1MEN1KMT2A
SCHEMBL5650668 0.79 HPGDS (0.45) TRPM8PPARGFFAR1FFAR4
SCHEMBL5652505 0.78 KMT2A (0.40) TRPM8EPORPPARGALDH1A1LMNA
SCHEMBL4623203 0.78 NPC1 (0.43) TRPM8PPARGALDH1A1LMNASMN1; SMN2
SCHEMBL2247401 0.78 EPOR (0.44) EPORAKR1C3F10TNKSPARP15
SCHEMBL5653109 0.77 SRD5A2 (0.47) LPAR1FFAR1FFAR4PARP10

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