SCHEMBL4621148

SCHEMBL4621148

NC(=O)CC[C@H](NC(=O)c1ccc2c(c1)C(=O)c1ccccc1-2)C(=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
ACE P12821 1/20 0.47
PTPRC P08575 2/20 0.45
CTSL P07711 1/20 0.45
PTPN13 Q12923 1/20 0.45
CA2 P00918 4/20 0.44
CA1 P00915 3/20 0.44
F10 P00742 1/20 0.44
PRSS1 P07477 1/20 0.44
LNPEP Q9UIQ6 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 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
SCHEMBL2248134 0.90 POLB (0.52) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL4623235 0.86 RAB9A (0.43) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL2249427 0.86 CA2 (0.59) MAPTNPC1RAB9AALDH1A1PTPRC
SCHEMBL7046023 0.84 ACE (0.60) NPC1RAB9ASMN1; SMN2ACECTSL
SCHEMBL7709356 0.84 ACE (0.50) SMN1; SMN2ACECA2CA1F10
SCHEMBL2246525 0.83 NPC1 (0.43) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL4622940 0.82 BCHE (0.44) NPC1RAB9APTPRCCA2CA1
SCHEMBL2244945 0.82 PTPRC (0.47) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL5652507 0.81 ACE (0.52) ALDH1A1LMNASMN1; SMN2ACECTSL
SCHEMBL4623715 0.80 GPR132 (0.53) ALDH1A1LMNASMN1; SMN2ACEHPGDS

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