SCHEMBL20979758

SCHEMBL20979758

CN[C@@H](CC(C)C)C(=O)O[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](Cc1ccc(N2CCOCC2)cc1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.41
CTSK P43235 3/20 0.41
ACACB O00763 1/20 0.37
ALDH1A1 P00352 1/20 0.35
CTSS P25774 2/20 0.34
CTSB P07858 1/20 0.34
REN P00797 1/20 0.34
CDK2 P24941 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 2/20 0.33
TSHR P16473 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NAPEPLD Q6IQ20 1/20 0.33
SYK P43405 1/20 0.33
RORC P51449 2/20 0.33
AOC3 Q16853 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 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
SCHEMBL23323960 0.98 CTSL (0.40) CTSLCTSKACACBALDH1A1CTSS
SCHEMBL23295228 0.95 CTSL (0.40) CTSLCTSKACACBALDH1A1CTSS
SCHEMBL20979888 0.95 CTSL (0.40) CTSLCTSKACACBALDH1A1CTSS
SCHEMBL20979761 0.93 CTSL (0.39) CTSLCTSKACACBALDH1A1CTSS
SCHEMBL23325354 0.91 CTSL (0.37) CTSLCTSKACACBALDH1A1CTSS
SCHEMBL23295244 0.89 CTSK (0.47) CTSLCTSKALDH1A1CTSSCTSB
SCHEMBL23295243 0.89 CTSK (0.47) CTSLCTSKALDH1A1CTSSCTSB
SCHEMBL23295241 0.89 CTSK (0.47) CTSLCTSKALDH1A1CTSSCTSB
SCHEMBL20979803 0.89 CTSL (0.48) CTSLCTSKACACBALDH1A1CTSS
SCHEMBL23323476 0.88 CTSL (0.36) CTSLCTSKACACBALDH1A1CTSS

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-3480195-A1 METHOD FOR THE SYNTHESIS OF CYCLIC DEPSIPEPTIDES Bayer Animal Health GmbH (DE) 2019-05-08 EP disclosed