SCHEMBL6942326

SCHEMBL6942326

CC(=O)N(NC(=O)[C@H](CC(C)C)[C@H](CCCc1ccccc1)C(=O)NOC1CCCCO1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.39
MMP13 P45452 1/20 0.39
MMP2 P08253 9/20 0.34
MMP3 P08254 7/20 0.34
APP P05067 2/20 0.34
REN P00797 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
SCHEMBL6940058 0.91 CTSK (0.38) MMP1MMP13MMP2MMP3
SCHEMBL7840445 0.86 MMP1 (0.46) MMP1MMP13MMP2MMP3APP
SCHEMBL6983815 0.84 MMP1 (0.41) MMP1MMP13MMP2MMP3APP
SCHEMBL6940169 0.83 ADAM17 (0.45) MMP1MMP13MMP2MMP3APP
SCHEMBL6986871 0.83 MMP1 (0.37) MMP1MMP13MMP2MMP3APP
SCHEMBL4290067 0.81 MMP2 (0.41) MMP1MMP2MMP3
SCHEMBL6982858 0.80 MMP1 (0.38) MMP1MMP13REN
SCHEMBL6221034 0.80 MMP1 (0.38) MMP1MMP13MMP2MMP3APP
SCHEMBL6941577 0.79 MMP1 (0.50) MMP1MMP13MMP2MMP3
SCHEMBL6982289 0.79 MMP1 (0.37) MMP1MMP13APPREN

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