SCHEMBL8407935

SCHEMBL8407935

CC(C)C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N[C@H]1CCOC1O

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 19/20 0.55
CAPNS1 P04632 8/20 0.51
LARS1 Q9P2J5 1/20 0.48

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
SCHEMBL8407939 1.00 CAPN1 (0.55) CAPN1CAPNS1LARS1
SCHEMBL8564650 0.88 CAPN1 (0.63) CAPN1CAPNS1
SCHEMBL8407577 0.88 CAPN1 (0.63) CAPN1CAPNS1
SCHEMBL8407583 0.88 CAPN1 (0.63) CAPN1CAPNS1
SCHEMBL8564657 0.88 CAPN1 (0.63) CAPN1CAPNS1
SCHEMBL8404227 0.87 CAPN1 (0.54) CAPN1CAPNS1LARS1
SCHEMBL8404230 0.87 CAPN1 (0.54) CAPN1CAPNS1LARS1
SCHEMBL8807405 0.85 CAPN1 (0.63) CAPN1
SCHEMBL8807417 0.85 CAPN1 (0.63) CAPN1
SCHEMBL8807819 0.85 CAPN1 (0.64) CAPN1CAPNS1

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