SCHEMBL6945072

SCHEMBL6945072

CC(C)CC(C(=O)NN1C(=O)c2ccccc2C1=O)[C@@H](C/C=C\c1ccccc1)C(=O)NO

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 3/20 0.58
MMP2 P08253 12/20 0.46
MMP3 P08254 11/20 0.46
MMP1 P03956 10/20 0.46
MMP8 P22894 4/20 0.46
MMP13 P45452 3/20 0.46
MMP9 P14780 3/20 0.46
GAA P10253 1/20 0.46
MMP7 P09237 8/20 0.44
MMP14 P50281 2/20 0.43
MMP12 P39900 1/20 0.43
ALDH1A1 P00352 1/20 0.40
FCER2 P06734 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL6945099 1.00 ADAM17 (0.58) ADAM17MMP2MMP3MMP1MMP8
SCHEMBL6945094 1.00 ADAM17 (0.58) ADAM17MMP2MMP3MMP1MMP8
SCHEMBL6942356 0.87 ADAM17 (0.46) ADAM17MMP2MMP3MMP1MMP8
SCHEMBL27522457 0.87 ADAM17 (0.46) ADAM17MMP2MMP3MMP1MMP8
SCHEMBL6942353 0.87 ADAM17 (0.46) ADAM17MMP2MMP3MMP1MMP8
SCHEMBL6943017 0.85 ADAM17 (0.56) ADAM17MMP2MMP3MMP1MMP8
SCHEMBL7940327 0.85 ADAM17 (0.56) ADAM17MMP2MMP3MMP1MMP8
SCHEMBL6943026 0.85 ADAM17 (0.56) ADAM17MMP2MMP3MMP1MMP8
SCHEMBL6943037 0.85 ADAM17 (0.56) ADAM17MMP2MMP3MMP1MMP8
SCHEMBL6943031 0.85 ADAM17 (0.56) ADAM17MMP2MMP3MMP1MMP8

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