SCHEMBL16847486

SCHEMBL16847486

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)CNC(=O)OC(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.61
CASP1 P29466 2/20 0.53
CASP3 P42574 2/20 0.53
CASP7 P55210 2/20 0.53
CASP6 P55212 2/20 0.53
CASP8 Q14790 2/20 0.53
CTSL P07711 4/20 0.51
CTSK P43235 4/20 0.51
CTSS P25774 3/20 0.51
CTSB P07858 3/20 0.51
ELANE P08246 1/20 0.49
PRTN3 P24158 1/20 0.49
CASP9 P55211 1/20 0.48
CA2 P00918 1/20 0.48
CA5A P35218 1/20 0.48
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPT P10636 1/20 0.47
CA1 P00915 1/20 0.47

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
SCHEMBL7063703 0.86 CASP1 (0.55) SYKCASP1CASP3CASP7CASP6
SCHEMBL11657615 0.85 SYK (0.59) SYKCASP1CASP3CASP7CASP6
SCHEMBL20885259 0.85 SYK (0.59) SYKCASP1CASP3CASP7CASP6
SCHEMBL24050025 0.84 SYK (0.56) SYKCTSKCTSSCTSBELANE
SCHEMBL5311477 0.83 SYK (0.52) SYKCASP1CASP3CASP7CASP6
SCHEMBL9608962 0.83 SYK (0.58) SYKCASP1CASP3CASP7CASP6
SCHEMBL12873000 0.83 KLK5 (0.57) SYKCTSLCTSKCTSSCTSB
SCHEMBL12214464 0.83 KLK5 (0.57) SYKCTSLCTSKCTSSCTSB
SCHEMBL6388701 0.83 KLK5 (0.57) SYKCTSLCTSKCTSSCTSB
SCHEMBL25908075 0.82 SYK (0.57) SYKCASP3CTSLCTSKCTSS

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
WO-2015095227-A2 PEPTIDOMIMETIC COMPOUNDS AND ANTIBODY-DRUG CONJUGATES THEREOF GENENTECH, INC. (US) 2015-06-25 WO disclosed