SCHEMBL1504702

SCHEMBL1504702

COC(=O)[C@@H](CNC(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)N1CCN(S(C)(=O)=O)CC1

nearest known ligand 0.84

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 15/20 0.84
MMP1 P03956 6/20 0.84
MMP3 P08254 5/20 0.84
ADAM10 O14672 2/20 0.84
MMP2 P08253 2/20 0.64
MMP12 P39900 1/20 0.64
MMP13 P45452 1/20 0.55

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
SCHEMBL1504725 0.94 ADAM17 (0.88) ADAM17MMP1MMP3ADAM10MMP2
SCHEMBL10276027 0.94 ADAM17 (0.88) ADAM17MMP1MMP3ADAM10MMP2
SCHEMBL1504729 0.92 ADAM17 (0.85) ADAM17MMP1MMP3ADAM10MMP2
SCHEMBL1504733 0.92 ADAM17 (0.85) ADAM17MMP1MMP3ADAM10MMP2
SCHEMBL1503993 0.92 ADAM17 (1.00) ADAM17MMP1MMP3ADAM10
SCHEMBL1504692 0.92 ADAM17 (1.00) ADAM17MMP1MMP3ADAM10
Hydrochloric Acid SCHEMBL1504544 0.91 ADAM17 (0.98) ADAM17MMP1MMP3ADAM10
SCHEMBL1503643 0.90 ADAM17 (0.83) ADAM17MMP1MMP3ADAM10MMP2
SCHEMBL1504892 0.89 ADAM17 (0.84) ADAM17MMP1MMP3ADAM10MMP2
SCHEMBL1504895 0.89 ADAM17 (0.84) ADAM17MMP1MMP3ADAM10MMP2

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