SCHEMBL9215355

SCHEMBL9215355

COC(=O)CN1C(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 17/20 0.50
PYGL P06737 16/20 0.50
SMN1; SMN2 Q16637 3/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.37

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 0.86 PYGM (0.50) PYGMPYGL
SCHEMBL6949414 0.79 PYGM (0.49) PYGMPYGL
SCHEMBL6945774 0.76 ALOX15 (0.44) PYGMPYGLSMN1; SMN2GAA
SCHEMBL7074756 0.73 ALOX15 (0.41) PYGMPYGLSMN1; SMN2GAATSHR
SCHEMBL6944706 0.71 ALOX15 (0.64) SMN1; SMN2GAATSHR
SCHEMBL6953545 0.71 PYGM (0.49) PYGMPYGL
SCHEMBL6942375 0.70 MAPT (0.52) PYGMPYGLSMN1; SMN2TSHR
SCHEMBL6947702 0.70 PYGM (0.53) PYGMPYGL
SCHEMBL6949599 0.69 ALOX15 (0.61) SMN1; SMN2GAATSHR
SCHEMBL9217791 0.69 PYGM (0.67) PYGMPYGL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0657433-A1 Dihydropyridines with substituted esters showing cerebral activity BAYER AG (DE) 1995-06-14 EP disclosed