SCHEMBL9216185

SCHEMBL9216185

CC(C)(C)OC(=O)N1CCO[C@H](COS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
EPHA2 P29317 4/20 0.41
DRD4 P21917 1/20 0.40
ERBB2 P04626 1/20 0.39
EPHB4 P54760 1/20 0.39
GPR119 Q8TDV5 4/20 0.38
NR1D1 P20393 2/20 0.38
MMP1 P03956 2/20 0.38
MMP9 P14780 2/20 0.38
MMP3 P08254 1/20 0.38
MMP7 P09237 1/20 0.38
HTT P42858 1/20 0.37
MMP13 P45452 1/20 0.36

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
SCHEMBL9214380 1.00 ALDH1A1 (0.49) ALDH1A1LMNAMAPTPRMT5WDR77
SCHEMBL9215446 1.00 ALDH1A1 (0.49) ALDH1A1LMNAMAPTPRMT5WDR77
SCHEMBL617821 0.88 PDK1 (0.45) ALDH1A1EPHA2ERBB2EPHB4GPR119
SCHEMBL617822 0.88 PDK1 (0.45) ALDH1A1EPHA2ERBB2EPHB4GPR119
SCHEMBL618014 0.88 PDK1 (0.45) ALDH1A1EPHA2ERBB2EPHB4GPR119
SCHEMBL7291444 0.87 STS (0.49) EPHA2ERBB2EPHB4GPR119NR1D1
SCHEMBL394196 0.80 ALDH1A1 (0.49) ALDH1A1LMNAMAPTPRMT5WDR77
SCHEMBL15416553 0.80 USP2 (0.44) ALDH1A1MAPTEPHA2ERBB2EPHB4
SCHEMBL31494035 0.80 EPHA2 (0.42) EPHA2ERBB2EPHB4GPR119MMP1
SCHEMBL1439374 0.79 USP2 (0.46) ALDH1A1MAPTEPHA2ERBB2EPHB4

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-0411912-B1 Coumarin derivatives, their preparation and their use in the treatment of cerebrovascular disorders SANKYO CO (JP) 1995-04-19 EP disclosed
EP-0411912-A2 Coumarin derivatives, their preparation and their use in the treatment of cerebrovascular disorders Sankyo Company Limited (JP) 1991-02-06 EP disclosed