SCHEMBL9215408

SCHEMBL9215408

COCCOC(=O)OC1=C(C)N(C)C(C)=C(OC(=O)OC(C)C)C1c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 3/20 0.35
MEN1 O00255 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
KMT2A Q03164 2/20 0.35
TSHR P16473 2/20 0.35
CYP2D6 P10635 1/20 0.35
NFKB1 P19838 1/20 0.35
THPO P40225 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
HPGD P15428 4/20 0.34
HSD17B10 Q99714 3/20 0.34
GAA P10253 3/20 0.34
ALDH1A1 P00352 2/20 0.34
GLA P06280 1/20 0.34

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
SCHEMBL9222124 0.91 PYGM (0.37) KDM4ETDP1LMNAMEN1CYP1A2
SCHEMBL9220816 0.89 LMNA (0.35) KDM4ETDP1LMNAMEN1CYP1A2
SCHEMBL9364254 0.89 HSP90AA1 (0.40) KDM4ETDP1LMNAMEN1CYP1A2
SCHEMBL9222084 0.87 CACNA1F (0.41) KDM4ETDP1LMNAMEN1CYP1A2
SCHEMBL9214880 0.85 HPGD (0.46) KDM4ELMNAMEN1CYP1A2CYP3A4
SCHEMBL9222512 0.83 HTT (0.47) KDM4ETDP1LMNAMEN1CYP1A2
SCHEMBL9220779 0.83 ADRA2A (0.35) KDM4ELMNAMEN1CYP1A2CYP3A4
SCHEMBL9364248 0.80 HSP90AA1 (0.44) KDM4ETDP1LMNAKMT2ATSHR
SCHEMBL9220730 0.79 APOBEC3A (0.36) KDM4ETDP1LMNAMEN1CYP1A2
SCHEMBL9363806 0.77 HSP90AA1 (0.39) KDM4ETDP1LMNATSHRHTT

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-0525568-B1 N-Alkylated 1,4-dihydropyridine carboxylicacid ester derivatives BAYER AG (DE) 1995-05-10 EP claimed
EP-0525568-A1 N-Alkylated 1,4-dihydropyridine carboxylicacid ester derivatives BAYER AG (DE) 1993-02-03 EP claimed
EP-0525568-B1 N-Alkylated 1,4-dihydropyridine carboxylicacid ester derivatives BAYER AG (DE) 1995-05-10 EP disclosed
EP-0525568-A1 N-Alkylated 1,4-dihydropyridine carboxylicacid ester derivatives BAYER AG (DE) 1993-02-03 EP disclosed