SCHEMBL9830926

SCHEMBL9830926

CCOC(=O)N1C=C(c2c(F)c(F)c(F)c(F)c2F)C=C(C(=O)OC)C1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
THRB P10828 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
MAPT P10636 2/20 0.31
TP53 P04637 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
RAB9A P51151 1/20 0.31
BLM P54132 1/20 0.31
MCOLN3 Q8TDD5 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL9833055 0.80 KDM4E (0.41) KDM4EALDH1A1LMNACHRM2CHRM4
SCHEMBL9831889 0.64 MAPT (0.32) LMNACHRM2CHRM4CHRM5THRB
SCHEMBL2420231 0.61 CHRM3 (0.58) KDM4EALDH1A1LMNACHRM2CHRM4
SCHEMBL27463224 0.60 TSHR (0.37) KDM4EALDH1A1LMNAMAPTHTT
SCHEMBL5857909 0.59 PTPN1 (0.49) KDM4EALDH1A1LMNACHRM2CHRM4
SCHEMBL23627241 0.56 CHRM3 (0.44) KDM4EALDH1A1L3MBTL1LMNACHRM2
SCHEMBL4141860 0.56 CA1 (0.58) KDM4EALDH1A1LMNAMAPTHTT
SCHEMBL7002090 0.56 CYP1A2 (0.40) KDM4ELMNAMAPTHTTMEN1
SCHEMBL7002092 0.56 TSHR (0.39) KDM4EALDH1A1LMNAMAPTHTT
SCHEMBL196046 0.55 ESR1 (0.53) KDM4EALDH1A1MAPTTP53HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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