SCHEMBL6943542

SCHEMBL6943542

CC(C)C[C@@H](C(=O)NN(C(=O)NCc1ccccc1)c1ccccc1)[C@H](CC=Cc1ccccc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 2/20 0.52
ANPEP P15144 1/20 0.41
MMP8 P22894 7/20 0.39
MMP2 P08253 5/20 0.39
MMP1 P03956 4/20 0.39
MMP9 P14780 2/20 0.39
MASP2 O00187 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MMP3 P08254 4/20 0.37
MMP7 P09237 3/20 0.37
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
GRIK1 P39086 2/20 0.36
GRIK2 Q13002 2/20 0.36
MMP12 P39900 1/20 0.36
MMP13 P45452 1/20 0.36
MMP14 P50281 1/20 0.36

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
SCHEMBL6943700 0.93 ADAM17 (0.60) ADAM17ANPEPMMP8MMP2MMP1
SCHEMBL6945563 0.91 ADAM17 (0.52) ADAM17MMP8MMP2MMP1MMP9
SCHEMBL6943060 0.84 ADAM17 (0.61) ADAM17MMP8MMP2MMP1MMP9
SCHEMBL6943184 0.80 ADAM17 (0.66) ADAM17ANPEPMMP8MMP2MMP1
SCHEMBL6942467 0.79 ADAM17 (0.49) ADAM17MMP8MMP2MMP1MMP9
SCHEMBL6985700 0.77 ADAM17 (0.62) ADAM17MMP8MMP2MMP1MMP9
SCHEMBL6945913 0.76 ADAM17 (0.63) ADAM17ANPEPMMP8MMP2MMP1
SCHEMBL6939982 0.75 ADAM17 (0.59) ADAM17ANPEPMMP8MMP2MMP1
SCHEMBL6687619 0.74 ADAM17 (0.65) ADAM17ANPEPMMP8MMP2MMP1
SCHEMBL6687622 0.74 ADAM17 (0.65) ADAM17ANPEPMMP8MMP2MMP1

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