SCHEMBL6944663

SCHEMBL6944663

CC(C)C[C@@H](C(=O)NN(CC(C)C)C(=O)C(C)C)[C@H](CC=Cc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 5/20 0.56
GRIK1 P39086 2/20 0.32
GRIK2 Q13002 2/20 0.32
HTR2A P28223 3/20 0.32
CTSC P53634 1/20 0.32
MMP2 P08253 3/20 0.32
MMP3 P08254 3/20 0.32
MMP7 P09237 2/20 0.32
MMP1 P03956 2/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
MMP8 P22894 1/20 0.31

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
SCHEMBL6948137 0.93 ADAM17 (0.55) ADAM17GRIK1GRIK2HTR2ACTSC
SCHEMBL6948147 0.93 ADAM17 (0.55) ADAM17GRIK1GRIK2HTR2ACTSC
SCHEMBL6986274 0.89 ADAM17 (0.52) ADAM17GRIK1GRIK2MAPTMAPK1
SCHEMBL6945913 0.87 ADAM17 (0.63) ADAM17GRIK1GRIK2HTR2ACTSC
SCHEMBL6943944 0.86 ADAM17 (0.73) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL7935009 0.86 ADAM17 (0.76) ADAM17GRIK1GRIK2HTR2AMMP1
SCHEMBL6220502 0.82 ADAM17 (0.48) ADAM17GRIK1GRIK2HTR2ACTSC
SCHEMBL6220493 0.82 ADAM17 (0.48) ADAM17GRIK1GRIK2HTR2ACTSC
SCHEMBL6220496 0.82 ADAM17 (0.48) ADAM17GRIK1GRIK2HTR2ACTSC
SCHEMBL6984686 0.82 ADAM17 (0.48) ADAM17GRIK1GRIK2HTR2ACTSC

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