SCHEMBL6946758

SCHEMBL6946758

C=CCCCN(NC(=O)[C@H](CC(C)C)[C@H](CC=Cc1ccccc1)C(=O)NOC1CCCCO1)S(C)(=O)=O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 2/20 0.53
MMP2 P08253 7/20 0.31
MMP3 P08254 7/20 0.31
MMP7 P09237 6/20 0.31
MMP1 P03956 6/20 0.30
MMP8 P22894 2/20 0.30
MMP9 P14780 1/20 0.30
MMP12 P39900 1/20 0.30
MMP13 P45452 1/20 0.30
MMP14 P50281 1/20 0.30

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
SCHEMBL6945793 0.93 ADAM17 (0.55) ADAM17MMP2MMP3MMP1MMP9
SCHEMBL6942509 0.92 ADAM17 (0.55) ADAM17MMP2MMP7MMP1MMP9
SCHEMBL6946732 0.92 ADAM17 (0.55) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6945781 0.91 ADAM17 (0.53) ADAM17MMP2MMP7MMP1MMP9
SCHEMBL6942461 0.91 ADAM17 (0.56) ADAM17MMP2MMP9
SCHEMBL6945556 0.91 ADAM17 (0.58) ADAM17MMP2MMP7MMP1MMP9
SCHEMBL6946725 0.91 ADAM17 (0.56) ADAM17MMP2MMP9
SCHEMBL6943880 0.90 ADAM17 (0.55) ADAM17MMP2MMP9
SCHEMBL6942429 0.90 ADAM17 (0.55) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6946967 0.90 ADAM17 (0.55) ADAM17

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0993442-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-04-23 EP disclosed
US-6235787-B1 ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES; BONE DISORDERS; SKIN DISORDERS; MULTIPLE SCLEROSIS HOFFMANN-LA ROCHE INC. 2001-05-22 US disclosed