SCHEMBL8806236

SCHEMBL8806236

CCOC(=O)/C=C/c1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.43
RAB9A P51151 1/20 0.41
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.40
FBP1 P09467 1/20 0.40
BACE1 P56817 2/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
EGFR P00533 1/20 0.39
ERBB2 P04626 1/20 0.39
THRB P10828 1/20 0.38
AKR1B1 P15121 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MAPT P10636 1/20 0.38
ESR1 P03372 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL8806241 1.00 STAT3 (0.43) STAT3RAB9ALMNAALDH1A1FBP1
SCHEMBL5093403 0.86 STAT3 (0.49) STAT3RAB9ALMNAALDH1A1FBP1
SCHEMBL8915195 0.79 STAT3 (0.45) STAT3RAB9ALMNAALDH1A1FBP1
SCHEMBL3173742 0.79 ALDH1A1 (0.50) STAT3RAB9ALMNAALDH1A1BACE1
SCHEMBL8915201 0.79 STAT3 (0.45) STAT3RAB9ALMNAALDH1A1FBP1
SCHEMBL3159031 0.79 RAB9A (0.48) STAT3RAB9ALMNAALDH1A1FBP1
SCHEMBL3159026 0.79 RAB9A (0.48) STAT3RAB9ALMNAALDH1A1FBP1
SCHEMBL3173753 0.79 ALDH1A1 (0.50) STAT3RAB9ALMNAALDH1A1BACE1
SCHEMBL4876757 0.78 STAT3 (0.52) STAT3RAB9ALMNAALDH1A1FBP1
SCHEMBL4876750 0.78 STAT3 (0.52) STAT3RAB9ALMNAALDH1A1FBP1

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-0583136-B1 Piperidino-3,4-dihydrocarbostyryl compounds for the treatment of ischemic disorders KISSEI PHARMACEUTICAL (JP) 1997-10-08 EP disclosed
US-5294718-A Platelet aggregation inhibitors; antiischemic agents; side effect reduction KISSEI PHARMACEUTICAL CO., LTD. (JP) 1994-03-15 US disclosed
EP-0583136-A2 Piperidino-3,4-dihydrocarbostyryl compounds for the treatment of ischemic disorders Kissei Pharmaceutical Co., Ltd. (JP) 1994-02-16 EP disclosed