SCHEMBL6944949

SCHEMBL6944949

CC(C)C[C@@H](C(=O)NN(CCN1C(=O)c2ccccc2C1=O)S(C)(=O)=O)[C@H](CC=Cc1ccccc1)C(=O)NOC1CCCCO1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.52
MMP1 P03956 2/20 0.34
MMP2 P08253 2/20 0.34
MMP3 P08254 2/20 0.34
MMP8 P22894 2/20 0.34
MMP13 P45452 2/20 0.34
KMT2A Q03164 3/20 0.33
MMP9 P14780 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.31
MEN1 O00255 2/20 0.31
TGFBR1 P36897 1/20 0.31
APP P05067 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
SCHEMBL6943519 0.94 ADAM17 (0.53) ADAM17MMP1MMP2MMP3MMP8
SCHEMBL6943249 0.90 ADAM17 (0.53) ADAM17TGFBR1APP
SCHEMBL6945556 0.90 ADAM17 (0.58) ADAM17MMP1MMP2MMP13MMP9
SCHEMBL6946725 0.90 ADAM17 (0.56) ADAM17MMP2MMP9TGFBR1APP
SCHEMBL6942461 0.90 ADAM17 (0.56) ADAM17MMP2MMP9TGFBR1APP
SCHEMBL7940322 0.90 ADAM17 (0.50) ADAM17MMP1MMP2MMP3MMP8
SCHEMBL6943880 0.90 ADAM17 (0.55) ADAM17MMP2MMP9TGFBR1APP
SCHEMBL6945793 0.90 ADAM17 (0.55) ADAM17MMP1MMP2MMP3MMP9
SCHEMBL7938339 0.89 ADAM17 (0.52) ADAM17MMP1MMP2MMP3MMP8
SCHEMBL6942429 0.89 ADAM17 (0.55) ADAM17MMP1MMP2MMP3MMP8

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