SCHEMBL7515359

SCHEMBL7515359

CC(C)C[C@H](NC(=O)CCCN(C=O)OCc1ccccc1)C(=O)N[C@H]1CCOC1O

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 18/20 0.56
CAPNS1 P04632 8/20 0.53
CASP1 P29466 2/20 0.46
CASP3 P42574 2/20 0.46
CASP7 P55210 2/20 0.46
CASP6 P55212 2/20 0.46
CASP8 Q14790 2/20 0.46

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
SCHEMBL7511787 0.91 CAPN1 (0.44) CAPN1CAPNS1
SCHEMBL7513003 0.89 CAPN1 (0.52) CAPN1CAPNS1CASP1CASP3CASP7
SCHEMBL7515349 0.81 CAPN1 (0.61) CAPN1CAPNS1
SCHEMBL7517808 0.81 CAPN1 (0.43) CAPN1CAPNS1
SCHEMBL8809102 0.81 CAPN1 (0.69) CAPN1CAPNS1
SCHEMBL8809091 0.81 CAPN1 (0.69) CAPN1CAPNS1
SCHEMBL7514555 0.79 CAPN1 (0.57) CAPN1CAPNS1CASP1CASP3CASP7
SCHEMBL8404288 0.78 CAPN1 (0.68) CAPN1
SCHEMBL3591988 0.78 CAPN1 (0.68) CAPN1
SCHEMBL8810351 0.75 CASP3 (0.71) CAPN1CAPNS1CASP1CASP3CASP7

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-0641800-B1 Lactol derivatives as inhibitors of cathepsin L TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-01-16 EP claimed