Sugi Predict

Sugi Predict / Compounds / SCHEMBL8404264

SCHEMBL8404264

SCHEMBL8404264

Cc1cc(C)c(S(=O)(=O)NC(CC(C)C)C(=O)N[C@H]2CCOC2O)c(C)c1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 19/20 0.55
▸ CAPNS1 P04632 5/20 0.44
▸ ITGB3 P05106 1/20 0.41
▸ ITGAV P06756 1/20 0.41

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
SCHEMBL8404260 1.00 CAPN1 (0.55) CAPN1CAPNS1ITGB3ITGAV
SCHEMBL8810462 0.94 CAPN1 (0.48) CAPN1CAPNS1ITGB3ITGAV
SCHEMBL8810452 0.94 CAPN1 (0.48) CAPN1CAPNS1ITGB3ITGAV
SCHEMBL8407600 0.86 CAPN1 (0.49) CAPN1CAPNS1ITGB3ITGAV
SCHEMBL8407608 0.86 CAPN1 (0.49) CAPN1CAPNS1ITGB3ITGAV
SCHEMBL8807405 0.84 CAPN1 (0.63) CAPN1
SCHEMBL8807417 0.84 CAPN1 (0.63) CAPN1
SCHEMBL8808352 0.81 CAPN1 (0.62) CAPN1CAPNS1
SCHEMBL8808370 0.81 CAPN1 (0.62) CAPN1CAPNS1
SCHEMBL8404262 0.81 NR3C1 (0.43) CAPN1

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 3 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 claimed
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