SCHEMBL8407604

SCHEMBL8407604

CC(=O)O[C@@H]1OCC[C@@H]1NC[C@@H](CC(C)C)NS(=O)(=O)c1c(C)cc(C)cc1C

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 18/20 0.39
NR3C2 P08235 16/20 0.39
PGR P06401 14/20 0.39
CAPN1 P07384 2/20 0.38
CAPNS1 P04632 1/20 0.37

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
SCHEMBL8810086 0.86 CA2 (0.47) CAPN1CAPNS1
SCHEMBL8404262 0.85 NR3C1 (0.43) NR3C1NR3C2PGRCAPN1
SCHEMBL8404245 0.84 CAPN1 (0.42) CAPN1CAPNS1
SCHEMBL8407608 0.84 CAPN1 (0.49) NR3C1NR3C2PGRCAPN1CAPNS1
SCHEMBL8407600 0.84 CAPN1 (0.49) NR3C1NR3C2PGRCAPN1CAPNS1
SCHEMBL8809938 0.83 CAPN1 (0.41) CAPN1CAPNS1
SCHEMBL8406510 0.82 MMP2 (0.38) CAPN1CAPNS1
SCHEMBL8403868 0.81 MMP13 (0.45)
SCHEMBL8404228 0.81 CAPN1 (0.43) CAPN1CAPNS1
SCHEMBL8810456 0.79 NR3C1 (0.41) NR3C1NR3C2PGR

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