SCHEMBL9833055

SCHEMBL9833055

CCOC(=O)N1C=C(C)C=C(C(=O)OC)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.39
LMNA P02545 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
THRB P10828 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
HTT P42858 2/20 0.36
GAA P10253 1/20 0.36
BLM P54132 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
MAPT P10636 2/20 0.34
ABL1 P00519 1/20 0.34
POLB P06746 1/20 0.34
RIN1 Q13671 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 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
SCHEMBL9830926 0.80 KDM4E (0.33) KDM4EALDH1A1LMNACHRM2CHRM4
SCHEMBL2420231 0.67 CHRM3 (0.58) KDM4EALDH1A1LMNACHRM2CHRM4
SCHEMBL27463224 0.66 TSHR (0.37) KDM4EALDH1A1LMNAHTTGAA
SCHEMBL5857909 0.65 PTPN1 (0.49) KDM4EALDH1A1LMNACHRM2CHRM4
SCHEMBL4444431 0.62 CA1 (0.70) LMNAHTTGAAMAPTTDP1
SCHEMBL10537396 0.62 CA1 (0.70) LMNAHTTGAAMAPTTDP1
SCHEMBL16850624 0.62 KDM4E (0.68) KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL16175866 0.62 KDM4E (0.68) KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL23627241 0.61 CHRM3 (0.44) KDM4EALDH1A1LMNACHRM2CHRM4
SCHEMBL4553516 0.61 ALDH1A1 (0.37) KDM4EALDH1A1LMNAGAAMAPT

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-0259206-A1 Derivatives of 1,4-dihydropyridine, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1988-03-09 EP claimed
EP-0259206-B1 DERIVATIVES OF 1,4-DIHYDROPYRIDINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ADIR ET COMPAGNIE (FR) 1991-10-09 EP disclosed
EP-0259206-A1 Derivatives of 1,4-dihydropyridine, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1988-03-09 EP disclosed