SCHEMBL6940310

SCHEMBL6940310

CC(C)C[C@@H](C(=O)NNc1ccccc1)[C@H](CCCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 4/20 0.44
MMP1 P03956 2/20 0.44
MMP9 P14780 1/20 0.44
GAA P10253 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
MMP13 P45452 1/20 0.41
MMP2 P08253 4/20 0.40
METAP2 P50579 1/20 0.40
METAP1 P53582 1/20 0.40
MMP8 P22894 1/20 0.39
REN P00797 1/20 0.39
CTSK P43235 3/20 0.39
CTSS P25774 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
SCHEMBL6986672 0.88 MMP1 (0.44) MMP3MMP1MMP9MMP13MMP8
SCHEMBL6944594 0.86 MMP2 (0.44) MMP3MMP1GAASMN1; SMN2LMNA
SCHEMBL7853167 0.86 MMP1 (0.46) MMP3MMP1MMP9MMP13MMP8
SCHEMBL7836454 0.86 MMP1 (0.46) MMP3MMP1MMP9MMP13MMP8
SCHEMBL7853162 0.86 MMP1 (0.46) MMP3MMP1MMP9MMP13MMP8
SCHEMBL7827850 0.86 MMP1 (0.46) MMP3MMP1MMP9MMP13MMP8
SCHEMBL6943292 0.84 MMP3 (0.45) MMP3MMP1MMP9LMNAMMP8
SCHEMBL6659520 0.84 MMP3 (0.45) MMP3MMP1MMP9LMNAMMP8
SCHEMBL6943287 0.84 MMP3 (0.45) MMP3MMP1MMP9LMNAMMP8
SCHEMBL6659518 0.84 MMP3 (0.45) MMP3MMP1MMP9LMNAMMP8

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