SCHEMBL1503546

SCHEMBL1503546

COC(=O)[C@H](CNC(=O)c1ccc(OCc2ccncc2)cc1)N1CCOCC1

nearest known ligand 0.79

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 12/20 0.79
ADAM10 O14672 1/20 0.65
MMP3 P08254 1/20 0.65
MAPK14 Q16539 2/20 0.49
ATM Q13315 1/20 0.49
TP53 P04637 2/20 0.48
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 1/20 0.46
MAPT P10636 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
SCHEMBL1503507 0.90 ADAM17 (0.82) ADAM17ADAM10MMP3MAPK14ATM
SCHEMBL1503641 0.90 ADAM17 (0.79) ADAM17ADAM10MMP3TP53LMNA
SCHEMBL1503504 0.90 ADAM17 (0.82) ADAM17ADAM10MMP3MAPK14ATM
SCHEMBL1503519 0.89 ADAM17 (1.00) ADAM17ADAM10MMP3
SCHEMBL1503515 0.89 ADAM17 (1.00) ADAM17ADAM10MMP3
SCHEMBL2681576 0.83 ADAM33 (0.66) ADAM17MMP3SMN1; SMN2LMNAMAPT
SCHEMBL1503533 0.82 TP53 (0.53) ADAM17ATMTP53LMNAMAPT
SCHEMBL1503539 0.82 TP53 (0.53) ADAM17ATMTP53LMNAMAPT
SCHEMBL1503642 0.81 ADAM17 (0.53) ADAM17ATMTP53LMNAMAPT
SCHEMBL1503541 0.81 ADAM17 (0.53) ADAM17ATMTP53LMNAMAPT

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-2011033010-A1 4-ALKOXY-N- (2-HYDROXYCARBAMOYL-2-PIPERIDINYL-ETHYL) -BENZAMIDE COMPOUNDS AS SELECTIVE TACE-INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-03-24 WO disclosed