SCHEMBL1503628

SCHEMBL1503628

COC(=O)C(CNC(=O)c1ccc(OCc2cc(Cl)nc(Cl)c2)cc1)N1CCCCC1

nearest known ligand 0.80

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 14/20 0.80
ADAM10 O14672 2/20 0.58
MMP3 P08254 1/20 0.58
MMP1 P03956 1/20 0.53
TP53 P04637 2/20 0.49
HTT P42858 1/20 0.49
LMNA P02545 1/20 0.48
PKM P14618 1/20 0.45
ADAM33 Q9BZ11 1/20 0.45

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
SCHEMBL1503625 1.00 ADAM17 (0.80) ADAM17ADAM10MMP3MMP1TP53
SCHEMBL1503712 0.91 ADAM17 (0.84) ADAM17ADAM10MMP3MMP1TP53
SCHEMBL1503683 0.91 ADAM17 (0.84) ADAM17ADAM10MMP3MMP1TP53
SCHEMBL1503510 0.89 ADAM17 (1.00) ADAM17ADAM10MMP3MMP1ADAM33
SCHEMBL1503513 0.89 ADAM17 (1.00) ADAM17ADAM10MMP3MMP1ADAM33
SCHEMBL1503641 0.85 ADAM17 (0.79) ADAM17ADAM10MMP3MMP1TP53
SCHEMBL1503590 0.83 ADAM17 (0.82) ADAM17ADAM10MMP3MMP1TP53
SCHEMBL12077178 0.83 ADAM17 (0.82) ADAM17ADAM10MMP3MMP1TP53
SCHEMBL1503523 0.82 ADAM17 (0.59) ADAM17ADAM10MMP3MMP1TP53
SCHEMBL1503640 0.81 ADAM17 (0.81) ADAM17ADAM10MMP3MMP1TP53

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