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Sugi Predict / Compounds / SCHEMBL6949414

SCHEMBL6949414

SCHEMBL6949414

COCCN1C(C)=C(C(=O)O)C(c2c(F)cccc2F)C(C(=O)OC(C)C)=C1C

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PYGM P11217 16/20 0.49
▸ PYGL P06737 15/20 0.49
▸ NR3C2 P08235 1/20 0.42
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ TDP1 Q9NUW8 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
SCHEMBL6952044 0.93 PYGM (0.50) PYGMPYGLNR3C2
SCHEMBL6947856 0.90 RECQL (0.45) NR3C2KMT2AMEN1RECQLTDP1
SCHEMBL6953545 0.89 PYGM (0.49) PYGMPYGLNR3C2KMT2AMEN1
SCHEMBL6947702 0.88 PYGM (0.53) PYGMPYGLNR3C2KMT2A
SCHEMBL6953114 0.82 NR3C2 (0.49) PYGMPYGLNR3C2KMT2AMEN1
SCHEMBL6945774 0.82 ALOX15 (0.44) PYGMPYGLNR3C2KMT2AMEN1
SCHEMBL6949149 0.82 PYGM (0.51) PYGMPYGLNR3C2
SCHEMBL9215355 0.79 PYGM (0.50) PYGMPYGL
SCHEMBL7400360 0.78 CYP1A2 (0.64) PYGMPYGLKMT2AMEN1
SCHEMBL7448031 0.78 CYP1A2 (0.64) PYGMPYGLKMT2AMEN1

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