SCHEMBL1503704

SCHEMBL1503704

CC#CCOc1ccc(C(=O)NC[C@@](C)(C(=O)O)C2CCCCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 9/20 0.49
MMP13 P45452 5/20 0.45
MMP9 P14780 2/20 0.45
ADAM10 O14672 1/20 0.42
MMP3 P08254 1/20 0.42
ADAM9 Q13443 1/20 0.42
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MDM2 Q00987 1/20 0.40
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
EGLN2 Q96KS0 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL10475829 0.76 ADAM17 (0.57) ADAM17MMP13MMP9ADAM10MMP3
SCHEMBL10475830 0.76 ADAM17 (0.57) ADAM17MMP13MMP9ADAM10MMP3
SCHEMBL1503703 0.73 ADAM17 (0.56) ADAM17MMP13MMP9ADAM10MMP3
SCHEMBL1503701 0.73 ADAM17 (0.56) ADAM17MMP13MMP9ADAM10MMP3
SCHEMBL1503702 0.73 ADAM17 (0.52) ADAM17MMP13MMP9ADAM10MMP3
SCHEMBL1504705 0.72 ADAM17 (0.60) ADAM17MMP13MMP9ADAM10MMP3
SCHEMBL1504530 0.71 ADAM17 (0.60) ADAM17MMP13MMP9ADAM10MMP3
SCHEMBL1504797 0.71 ADAM17 (0.60) ADAM17MMP13MMP9ADAM10MMP3
SCHEMBL10276479 0.71 ADAM17 (0.50) ADAM17MMP13ADAM10MMP3ADAM9
SCHEMBL6787647 0.70 ADAM17 (0.51) ADAM17MMP13MMP9ALDH1A1MMP1

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