SCHEMBL20979803

SCHEMBL20979803

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.48
CTSK P43235 3/20 0.48
ACACB O00763 1/20 0.45
ALDH1A1 P00352 4/20 0.43
GAA P10253 2/20 0.41
CTSS P25774 3/20 0.41
CTSB P07858 1/20 0.41
MAPT P10636 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CDK2 P24941 1/20 0.40
SYK P43405 1/20 0.39
TSHR P16473 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALOX15 P16050 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
SCHEMBL23323746 0.90 CTSL (0.45) CTSLCTSKACACBALDH1A1GAA
SCHEMBL20979758 0.89 CTSL (0.41) CTSLCTSKACACBALDH1A1GAA
SCHEMBL23323960 0.87 CTSL (0.40) CTSLCTSKACACBALDH1A1GAA
SCHEMBL20979812 0.85 ACACB (0.44) CTSLCTSKACACBALDH1A1CTSS
SCHEMBL20979888 0.84 CTSL (0.40) CTSLCTSKACACBALDH1A1GAA
SCHEMBL23295228 0.84 CTSL (0.40) CTSLCTSKACACBALDH1A1GAA
SCHEMBL20979761 0.81 CTSL (0.39) CTSLCTSKACACBALDH1A1CTSS
SCHEMBL20979753 0.81 MME (0.50)
SCHEMBL19066747 0.81 CTSL (0.39) CTSLCTSKACACBALDH1A1
SCHEMBL28772175 0.81 CTSL (0.39) CTSLCTSKACACBALDH1A1

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