Sugi Predict

Sugi Predict / Compounds / SCHEMBL8407953

SCHEMBL8407953

SCHEMBL8407953

CC(=O)O[C@@H]1OCC[C@@H]1NC(=O)C(CC(C)C)NC(=O)c1ccccc1F

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 16/20 0.61
▸ CAPNS1 P04632 3/20 0.59
▸ CASP1 P29466 2/20 0.45
▸ CASP3 P42574 1/20 0.41
▸ CTSK P43235 1/20 0.41
▸ NPC1 O15118 1/20 0.39

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
SCHEMBL8407942 1.00 CAPN1 (0.61) CAPN1CAPNS1CASP1CASP3CTSK
SCHEMBL8810895 0.95 CAPN1 (0.55) CAPN1CAPNS1CASP1CASP3CTSK
SCHEMBL8808955 0.90 CAPN1 (0.62) CAPN1CAPNS1CASP1
SCHEMBL8808938 0.90 CAPN1 (0.62) CAPN1CAPNS1CASP1
SCHEMBL8407422 0.85 CAPN1 (0.66) CAPN1CAPNS1CASP1
SCHEMBL8407416 0.85 CAPN1 (0.66) CAPN1CAPNS1CASP1
SCHEMBL8407947 0.84 CAPN1 (0.44) CAPN1CAPNS1NPC1
SCHEMBL8810074 0.82 CAPN1 (0.66) CAPN1CAPNS1CASP1CASP3CTSK
SCHEMBL8810052 0.82 CAPN1 (0.66) CAPN1CAPNS1CASP1CASP3CTSK
SCHEMBL8404224 0.81 CAPN1 (0.65) CAPN1CAPNS1CASP1CASP3CTSK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0925786-A1 REMEDIES FOR ISCHEMIC DISEASES MITSUBISHI CHEMICAL CORPORATION (JP) 1999-06-30 — — EP disclosed
EP-0810221-A1 OXYGEN-CONTAINING HETEROCYCLIC DERIVATIVES MITSUBISHI CHEMICAL CORPORATION (JP) 1997-12-03 — — EP disclosed