SCHEMBL6986672

SCHEMBL6986672

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.44
MMP3 P08254 2/20 0.44
MMP9 P14780 1/20 0.44
HPGD P15428 1/20 0.41
MMP13 P45452 1/20 0.40
MMP8 P22894 1/20 0.39
REN P00797 1/20 0.39
CTSK P43235 4/20 0.39
GRIK1 P39086 1/20 0.39
CTSS P25774 1/20 0.39
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38

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
SCHEMBL6940963 0.88 CTSL (0.41)
SCHEMBL6940310 0.88 MMP3 (0.44) MMP1MMP3MMP9MMP13MMP8
SCHEMBL7853162 0.86 MMP1 (0.46) MMP1MMP3MMP9MMP13MMP8
SCHEMBL7853167 0.86 MMP1 (0.46) MMP1MMP3MMP9MMP13MMP8
SCHEMBL7836454 0.86 MMP1 (0.46) MMP1MMP3MMP9MMP13MMP8
SCHEMBL7827850 0.86 MMP1 (0.46) MMP1MMP3MMP9MMP13MMP8
SCHEMBL6943292 0.84 MMP3 (0.45) MMP1MMP3MMP9HPGDMMP8
SCHEMBL6659520 0.84 MMP3 (0.45) MMP1MMP3MMP9HPGDMMP8
SCHEMBL6659518 0.84 MMP3 (0.45) MMP1MMP3MMP9HPGDMMP8
SCHEMBL6943287 0.84 MMP3 (0.45) MMP1MMP3MMP9HPGDMMP8

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1089964-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-10-29 EP disclosed