SCHEMBL6499797

SCHEMBL6499797

COC(=O)CC(Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.58
ATM Q13315 1/20 0.56
MAOB P27338 1/20 0.55
BCL2 P10415 1/20 0.55
PTPN1 P18031 3/20 0.53
LTA4H P09960 1/20 0.49
YAP1 P46937 2/20 0.48
HDAC8 Q9BY41 1/20 0.48
SYK P43405 1/20 0.47
PPARA Q07869 1/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PSMB5 P28074 1/20 0.47
APP P05067 1/20 0.47
ITGB3 P05106 2/20 0.47
ITGA2B P08514 2/20 0.47
PPARG P37231 1/20 0.47
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL2617272 1.00 REN (0.58) RENATMMAOBBCL2PTPN1
SCHEMBL5888032 0.91 ATM (0.58) RENATMMAOBBCL2PTPN1
SCHEMBL2617274 0.91 ATM (0.58) RENATMMAOBBCL2PTPN1
SCHEMBL6896458 0.90 ATM (0.67) RENATMSYKRAB9AAPP
SCHEMBL13770955 0.90 ATM (0.67) RENATMSYKRAB9AAPP
SCHEMBL7239876 0.90 ATM (0.67) RENATMSYKRAB9AAPP
SCHEMBL272406 0.88 ATM (0.59) RENATMBCL2PTPN1LTA4H
SCHEMBL272806 0.88 ATM (0.59) RENATMBCL2PTPN1LTA4H
SCHEMBL5410539 0.88 ATM (0.59) RENATMBCL2PTPN1LTA4H
SCHEMBL12532787 0.87 ATM (0.58) RENATMBCL2PTPN1LTA4H

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 WO disclosed