SCHEMBL6948537

SCHEMBL6948537

COCCN1C(C)=C(C(=O)O)C(c2cc(Cl)ccc2Cl)C(C(=O)O)=C1C

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PYGL P06737 10/20 0.46
PYGM P11217 10/20 0.46
GPBAR1 Q8TDU6 7/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
ATM Q13315 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTGDR2 Q9Y5Y4 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
SCHEMBL6949888 0.91 PYGM (0.60) PYGLPYGMGPBAR1
SCHEMBL6945485 0.78 NR3C2 (0.51) GPBAR1ALDH1A1ATMLMNASMN1; SMN2
SCHEMBL6949655 0.76 PYGL (0.44) PYGLPYGMKDM4EALDH1A1GLA
SCHEMBL6948535 0.75 CACNA1B (0.53) KDM4EALDH1A1GAALMNA
SCHEMBL6950023 0.75 LMNA (0.46) PYGLPYGMGPBAR1KDM4EALDH1A1
SCHEMBL6945774 0.74 ALOX15 (0.44) PYGLPYGMGPBAR1KDM4EALDH1A1
SCHEMBL6951169 0.74 NR3C2 (0.43) PYGLPYGMGPBAR1KDM4EALDH1A1
SCHEMBL6945824 0.73 NR3C2 (0.44) PYGLPYGMGPBAR1KDM4EALDH1A1
SCHEMBL6951439 0.72 LMNA (0.44) PYGLPYGMGPBAR1KDM4EALDH1A1
SCHEMBL11691222 0.72 PYGL (0.56) PYGLPYGMKDM4EALDH1A1GLA

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-0657432-B1 Phenyl-substituted 1,4-dihydropyridines with cerebral activity BAYER AG (DE) 2003-03-12 EP claimed