SCHEMBL1504530

SCHEMBL1504530

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

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 17/20 0.60
ADAM10 O14672 1/20 0.60
MMP3 P08254 1/20 0.60
ADAM9 Q13443 1/20 0.60
MMP2 P08253 2/20 0.47
MMP14 P50281 1/20 0.47
MMP13 P45452 4/20 0.46
MMP1 P03956 2/20 0.46
MMP9 P14780 2/20 0.46
ALDH1A1 P00352 2/20 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
SCHEMBL1504797 1.00 ADAM17 (0.60) ADAM17ADAM10MMP3ADAM9MMP2
SCHEMBL10276954 0.90 ADAM17 (0.61) ADAM17ADAM10MMP3ADAM9MMP2
SCHEMBL1504838 0.85 ADAM17 (0.60) ADAM17ADAM10MMP3ADAM9MMP2
SCHEMBL1504779 0.84 ADAM17 (0.61) ADAM17ADAM10MMP3MMP1
SCHEMBL1504784 0.83 ADAM17 (0.43) ADAM17ADAM10MMP3ADAM9ALDH1A1
SCHEMBL1504939 0.82 ADAM17 (0.60) ADAM17ALDH1A1
SCHEMBL1504974 0.82 ADAM17 (0.60) ADAM17ADAM10MMP3MMP1ALDH1A1
SCHEMBL1504684 0.82 ALDH1A1 (0.42) ADAM17ALDH1A1
SCHEMBL1504840 0.81 ADAM17 (0.61) ADAM17ALDH1A1
SCHEMBL1504934 0.81 ADAM17 (0.63) ADAM17ALDH1A1

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