SCHEMBL1504528

SCHEMBL1504528

CC#CCOc1ccc(C(=O)NC(C)C(C(=O)O)N2CCN(S(C)(=O)=O)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 19/20 0.62
ADAM10 O14672 1/20 0.62
MMP3 P08254 1/20 0.62
ADAM9 Q13443 1/20 0.62
MMP2 P08253 1/20 0.47
MMP14 P50281 1/20 0.47
MMP13 P45452 2/20 0.46
MMP1 P03956 1/20 0.46
MMP9 P14780 1/20 0.46
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL1504777 0.88 ADAM17 (0.65) ADAM17ADAM10MMP3ADAM9MMP2
SCHEMBL1503648 0.87 ADAM17 (0.59) ADAM17ADAM10MMP3ADAM9MMP2
SCHEMBL1504674 0.84 ADAM17 (0.61) ADAM17ADAM10MMP3ADAM9ALDH1A1
SCHEMBL1504776 0.84 ADAM17 (0.63) ADAM17ADAM10MMP3MMP1
SCHEMBL10275858 0.82 ADAM17 (0.83) ADAM17ADAM10MMP3ADAM9MMP2
SCHEMBL1504584 0.82 ADAM17 (0.83) ADAM17ADAM10MMP3ADAM9MMP2
SCHEMBL10276287 0.82 ADAM17 (0.83) ADAM17ADAM10MMP3ADAM9MMP2
SCHEMBL1504682 0.81 ADAM17 (0.41) ADAM17ADAM10MMP3ADAM9ALDH1A1
SCHEMBL1504857 0.80 ADAM17 (0.64) ADAM17MMP13ALDH1A1
SCHEMBL1504780 0.77 ADAM17 (0.81) ADAM17ADAM10MMP3ADAM9MMP2

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-2011033009-A1 N- [2-HYDROXYCARBAMOYL-2- (PIPERAZINYL) ETHYL] BENZAMIDE COMPOUNDS, THEIR PREPARATION AND THEIR USE AS TACE INHIBITORS GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-03-24 WO disclosed