SCHEMBL4623548

SCHEMBL4623548

Cc1ccccc1C(C)N(C(=O)c1cccc(Oc2ccccc2)c1)[C@@H](CCC(=O)O)C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.43
EPOR P19235 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TRPM8 Q7Z2W7 5/20 0.40
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
KCNH2 Q12809 1/20 0.38
AKR1C3 P42330 1/20 0.38
MCHR1 Q99705 1/20 0.36

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
SCHEMBL4623232 0.81 HTR7 (0.38) ALDH1A1LMNASMN1; SMN2TRPM8MCHR1
SCHEMBL4623713 0.76 TRPM8 (0.46) ALOX5EPORALDH1A1LMNASMN1; SMN2
SCHEMBL2247401 0.75 EPOR (0.44) ALOX5EPORALDH1A1LMNASMN1; SMN2
SCHEMBL7908388 0.68 KAT6A (0.41) ALDH1A1LMNASMN1; SMN2
SCHEMBL7908386 0.68 KAT6A (0.41) ALDH1A1LMNASMN1; SMN2
SCHEMBL4369267 0.67 SRD5A2 (0.46) ALDH1A1LMNATRPM8MCHR1
SCHEMBL2247555 0.67 HPGDS (0.65) ALDH1A1LMNASMN1; SMN2AKR1C3
SCHEMBL5651552 0.67 TRPM8 (0.45) ALDH1A1LMNASMN1; SMN2TRPM8
SCHEMBL7908883 0.66 NPC1 (0.45) SMN1; SMN2OPRM1KCNH2
SCHEMBL7908877 0.66 NPC1 (0.45) SMN1; SMN2OPRM1KCNH2

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