SCHEMBL6941949

SCHEMBL6941949

CC(C)C[C@@H](C(=O)NN)[C@@H](C(=O)NO)C(COc1ccccc1)(CC(C)C)S(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 6/20 0.37
MMP9 P14780 4/20 0.36
MMP1 P03956 3/20 0.36
MMP13 P45452 3/20 0.36
ANPEP P15144 3/20 0.35
LTA4H P09960 2/20 0.35
MMP2 P08253 3/20 0.34
MMP3 P08254 1/20 0.34
MMP14 P50281 1/20 0.34
FCER2 P06734 1/20 0.34
LAP3 P28838 1/20 0.34
NPEPPS P55786 1/20 0.34
ERAP2 Q6P179 1/20 0.34
ERAP1 Q9NZ08 1/20 0.34

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
SCHEMBL6945575 0.83 MMP2 (0.39) ADAM17MMP9MMP1MMP13MMP2
SCHEMBL6945566 0.82 KDM4E (0.33) MMP9ANPEPLTA4HMMP2LAP3
SCHEMBL6942381 0.79 ADAM17 (0.40) ADAM17MMP9MMP1ANPEPLTA4H
SCHEMBL6940240 0.77 ADAM17 (0.37) ADAM17MMP9MMP1ANPEPLTA4H
SCHEMBL6942609 0.76 ADAM17 (0.42) ADAM17MMP9MMP1MMP13ANPEP
SCHEMBL6942610 0.75 ADAM17 (0.46) ADAM17MMP9MMP1MMP13ANPEP
SCHEMBL4481740 0.75 ADAM17 (0.46) ADAM17MMP9MMP1MMP13ANPEP
SCHEMBL6942520 0.75 ADAM17 (0.41) ADAM17MMP9MMP1MMP13MMP2
SCHEMBL7099916 0.73 MMP8 (0.39) ADAM17MMP1MMP13ANPEPMMP2
SCHEMBL7100104 0.73 ANPEP (0.37) ADAM17MMP1ANPEPMMP2MMP3

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