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SCHEMBL8809577

SCHEMBL8809577

CC(C)CC(NC(=O)c1ccccc1)C(=O)N[C@H]1CCOC1O

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 15/20 0.71
▸ CAPNS1 P04632 3/20 0.65
▸ CTSK P43235 3/20 0.58
▸ CASP1 P29466 1/20 0.54
▸ CASP3 P42574 1/20 0.54
▸ CTSL P07711 2/20 0.53
▸ CTSB P07858 1/20 0.53
▸ CTSS P25774 1/20 0.53

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
SCHEMBL8809563 1.00 CAPN1 (0.71) CAPN1CAPNS1CTSKCASP1CASP3
SCHEMBL8408034 0.90 CAPN1 (0.71) CAPN1CAPNS1CTSKCASP1CASP3
SCHEMBL8408028 0.90 CAPN1 (0.71) CAPN1CAPNS1CTSKCASP1CASP3
SCHEMBL8810532 0.89 CAPN1 (0.72) CAPN1CAPNS1CASP1CASP3CTSL
SCHEMBL8810545 0.89 CAPN1 (0.72) CAPN1CAPNS1CASP1CASP3CTSL
SCHEMBL8404253 0.89 CAPN1 (0.62) CAPN1CAPNS1CTSKCASP1CASP3
SCHEMBL8404257 0.89 CAPN1 (0.62) CAPN1CAPNS1CTSKCASP1CASP3
SCHEMBL8810040 0.89 CAPN1 (0.70) CAPN1CAPNS1CTSKCASP1CASP3
SCHEMBL8810031 0.89 CAPN1 (0.70) CAPN1CAPNS1CTSKCASP1CASP3
SCHEMBL8807784 0.88 CAPN1 (0.61) CAPN1CAPNS1CTSKCASP1CASP3

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-0810221-A1 OXYGEN-CONTAINING HETEROCYCLIC DERIVATIVES MITSUBISHI CHEMICAL CORPORATION (JP) 1997-12-03 — — EP disclosed