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Sugi Predict / Compounds / SCHEMBL6952044

SCHEMBL6952044

SCHEMBL6952044

COCCN1C(C)=C(C(=O)O)C(c2c(F)cccc2Cl)C(C(=O)OC(C)C)=C1C

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PYGM P11217 16/20 0.50
▸ PYGL P06737 15/20 0.50
▸ ALOX15 P16050 1/20 0.41
▸ NR3C2 P08235 1/20 0.40
▸ GPBAR1 Q8TDU6 1/20 0.39

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
SCHEMBL6949414 0.93 PYGM (0.49) PYGMPYGLNR3C2
SCHEMBL6945774 0.91 ALOX15 (0.44) PYGMPYGLALOX15NR3C2GPBAR1
SCHEMBL9215355 0.86 PYGM (0.50) PYGMPYGL
SCHEMBL6953545 0.84 PYGM (0.49) PYGMPYGLNR3C2
SCHEMBL6947702 0.84 PYGM (0.53) PYGMPYGLNR3C2
SCHEMBL6947856 0.83 RECQL (0.45) ALOX15NR3C2GPBAR1
SCHEMBL6947787 0.80 PYGM (0.55) PYGMPYGLNR3C2
SCHEMBL7074756 0.79 ALOX15 (0.41) PYGMPYGLALOX15
SCHEMBL6953114 0.78 NR3C2 (0.49) PYGMPYGLNR3C2
SCHEMBL6949888 0.78 PYGM (0.60) PYGMPYGLGPBAR1

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-0657432-B1 Phenyl-substituted 1,4-dihydropyridines with cerebral activity BAYER AG (DE) 2003-03-12 — — EP claimed
EP-0657432-B1 Phenyl-substituted 1,4-dihydropyridines with cerebral activity BAYER AG (DE) 2003-03-12 — — EP disclosed
EP-0657432-A1 Phenyl-substituted 1,4-dihydropyridines with cerebral activity BAYER AG (DE) 1995-06-14 — — EP disclosed