SCHEMBL18330516

SCHEMBL18330516

CC[C@H](C)C(N)C(=O)N[C@H](C=O)CC(C)C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 7/20 0.42
CTSK P43235 1/20 0.38
CTSB P07858 5/20 0.38
TERT O14746 1/20 0.36
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
CTSC P53634 1/20 0.33
LAP3 P28838 2/20 0.33
PAX8 Q06710 1/20 0.33
MME P08473 1/20 0.33
ACE P12821 1/20 0.33
CPA1 P15085 1/20 0.33
ACE2 Q9BYF1 1/20 0.33

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
SCHEMBL30572343 1.00 CAPN1 (0.42) CAPN1CTSKCTSBTERTDPP4
SCHEMBL26548018 1.00 CAPN1 (0.42) CAPN1CTSKCTSBTERTDPP4
SCHEMBL14298969 0.94 CAPN1 (0.39) CAPN1CTSKCTSBTERTDPP4
SCHEMBL15381168 0.85 PAX8 (0.40) CTSKTERTDPP4DPP8DPP9
SCHEMBL24324147 0.85 DPP4 (0.46) CAPN1CTSKCTSBDPP4DPP8
SCHEMBL25571940 0.85 DPP4 (0.46) CAPN1CTSKCTSBDPP4DPP8
SCHEMBL5454396 0.85 DPP4 (0.46) CAPN1CTSKCTSBDPP4DPP8
SCHEMBL2740152 0.85 CAPN1 (0.45) CAPN1CTSKCTSBDPP4DPP8
SCHEMBL17305085 0.84 CASP1 (0.40) CTSC
SCHEMBL8621285 0.81 PAX8 (0.47) CAPN1CTSKCTSBDPP4DPP8

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-2016205277-A1 PD-L1 ANTAGONIST COMBINATION TREATMENTS MERCK PATENT GMBH (DE) 2016-12-22 WO disclosed