SCHEMBL6944230

SCHEMBL6944230

CC(C)=C[C@@H](C(=O)NN(CC(C)C)S(C)(=O)=O)[C@@H](C(=O)NO)C1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 2/20 0.40
MMP1 P03956 12/20 0.35
MMP8 P22894 10/20 0.35
MMP2 P08253 11/20 0.34
MMP3 P08254 10/20 0.34
MMP13 P45452 8/20 0.34
MMP9 P14780 3/20 0.33
MMP14 P50281 2/20 0.31
TSHR P16473 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
SCHEMBL6945324 0.91 ADAM17 (0.37) ADAM17TSHR
SCHEMBL6947013 0.81 MMP1 (0.52) ADAM17MMP1MMP8MMP2MMP3
SCHEMBL6947526 0.73 ADAM17 (0.47) ADAM17MMP1MMP8MMP2MMP3
SCHEMBL6940034 0.67 ADAM17 (0.52) ADAM17MMP1MMP8MMP2MMP3
SCHEMBL8098302 0.66 ADAM17 (0.66) ADAM17MMP1MMP8MMP2MMP3
SCHEMBL6938052 0.66 ADAM17 (0.66) ADAM17MMP1MMP8MMP2MMP3
SCHEMBL6940005 0.66 ADAM17 (0.41) ADAM17MMP2MMP13MMP14
SCHEMBL7928825 0.64 ADAM17 (0.37) ADAM17MMP1MMP8
SCHEMBL8114301 0.64 MMP1 (0.33) ADAM17MMP1MMP8MMP2MMP3
SCHEMBL6945579 0.63 ADAM17 (0.62) ADAM17MMP1MMP8MMP2MMP3

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