SCHEMBL9220835

SCHEMBL9220835

CCN1C(C)=C(C(=O)OCCOC)C(c2ccc(OC(F)(F)F)cc2)C(C(=O)OC(C)C)=C1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYGM P11217 4/20 0.49
PYGL P06737 3/20 0.49
LMNA P02545 3/20 0.43
MEN1 O00255 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
THPO P40225 1/20 0.43
MAPT P10636 1/20 0.43
CACNA1F O60840 3/20 0.41
CACNA1D Q01668 3/20 0.41
CACNA1S Q13698 3/20 0.41
CACNA1C Q13936 3/20 0.41
KDM4E B2RXH2 3/20 0.40
HPGD P15428 2/20 0.40

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
SCHEMBL9222512 0.90 HTT (0.47) PYGMPYGLLMNAMEN1CYP1A2
SCHEMBL9213691 0.89 PYGM (0.50) PYGMPYGLLMNAMEN1CYP1A2
SCHEMBL9223427 0.86 LMNA (0.42) PYGMPYGLLMNAMEN1CYP1A2
SCHEMBL23686114 0.85 LMNA (0.57) LMNAMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL9222124 0.84 PYGM (0.37) PYGMPYGLLMNAMEN1CYP1A2
SCHEMBL23686213 0.79 HTT (0.51) PYGMPYGLLMNAMEN1CYP1A2
SCHEMBL9119964 0.78 HTT (0.48) PYGMPYGLLMNAMEN1CYP1A2
SCHEMBL9217138 0.77 HTT (0.51) PYGMPYGLLMNAMEN1CYP1A2
SCHEMBL23686215 0.76 HTT (0.53) PYGMPYGLLMNAMEN1CYP1A2
SCHEMBL9215408 0.76 KDM4E (0.37) LMNAMEN1CYP1A2CYP3A4CYP2C9

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-0525568-B1 N-Alkylated 1,4-dihydropyridine carboxylicacid ester derivatives BAYER AG (DE) 1995-05-10 EP claimed
US-5328931-A Nervous sytem disorders, cognition activators BAYER AKTIENGESELLSCHAFT (DE) 1994-07-12 US claimed
US-5328931-A Nervous sytem disorders, cognition activators BAYER AKTIENGESELLSCHAFT (DE) 1994-07-12 US disclosed