SCHEMBL7074756

SCHEMBL7074756

COCCOC(CN1C(C)=C(C(=O)O)C(c2c(F)cccc2Cl)C(C(=O)O)=C1C)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.41
PYGL P06737 16/20 0.38
PYGM P11217 16/20 0.38
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.33

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
SCHEMBL6945774 0.82 ALOX15 (0.44) ALOX15PYGLPYGMSMN1; SMN2GAA
SCHEMBL6952044 0.79 PYGM (0.50) ALOX15PYGLPYGM
SCHEMBL6947856 0.74 RECQL (0.45) ALOX15SMN1; SMN2
SCHEMBL9215355 0.73 PYGM (0.50) PYGLPYGMSMN1; SMN2GAATSHR
SCHEMBL6945772 0.72 ALOX15 (0.68) ALOX15GAATSHR
SCHEMBL6949414 0.71 PYGM (0.49) PYGLPYGM
SCHEMBL6944706 0.67 ALOX15 (0.64) ALOX15SMN1; SMN2GAATSHR
SCHEMBL6942375 0.67 MAPT (0.52) ALOX15PYGLPYGMSMN1; SMN2TSHR
SCHEMBL6950055 0.67 POLB (0.49) ALOX15GAATSHR
SCHEMBL6949599 0.65 ALOX15 (0.61) ALOX15SMN1; SMN2GAATSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0657431-B1 4-Phenyl-3-substituted 1,4-dihydropyridine esters with cerebral activity BAYER AG (DE) 2003-02-19 EP claimed
EP-0657431-A1 4-Phenyl-3-substituted 1,4-dihydropyridine esters with cerebral activity BAYER AG (DE) 1995-06-14 EP claimed
EP-0657431-B1 4-Phenyl-3-substituted 1,4-dihydropyridine esters with cerebral activity BAYER AG (DE) 2003-02-19 EP disclosed
EP-0657431-A1 4-Phenyl-3-substituted 1,4-dihydropyridine esters with cerebral activity BAYER AG (DE) 1995-06-14 EP disclosed