SCHEMBL8913437

SCHEMBL8913437

C/C(N)=C/C(=O)OCCOc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.62
PARP10 Q53GL7 1/20 0.53
RAB9A P51151 6/20 0.50
NPC1 O15118 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TSHR P16473 1/20 0.49
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
PKM P14618 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL8913452 1.00 THRB (0.62) THRBPARP10RAB9ANPC1SMN1; SMN2
SCHEMBL11561163 0.87 THRB (0.66) THRBPARP10RAB9ANPC1SMN1; SMN2
SCHEMBL11560179 0.84 THRB (0.57) THRBPARP10RAB9ANPC1SMN1; SMN2
SCHEMBL11560181 0.84 THRB (0.57) THRBPARP10RAB9ANPC1SMN1; SMN2
SCHEMBL11713147 0.83 THRB (0.60) THRBPARP10RAB9ANPC1SMN1; SMN2
SCHEMBL11713157 0.83 THRB (0.60) THRBPARP10RAB9ANPC1SMN1; SMN2
SCHEMBL10923640 0.83 HCAR2 (0.59) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL11712721 0.82 THRB (0.59) THRBPARP10RAB9ANPC1SMN1; SMN2
SCHEMBL11712717 0.82 THRB (0.59) THRBPARP10RAB9ANPC1SMN1; SMN2
SCHEMBL10666475 0.81 ALDH1A1 (0.57) RAB9ASMN1; SMN2ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5658934-A Aryl-substituted alkoxycarbonyl-1,4-dihydropyridine-5-carboxylic acid esters BAYER AKTIENGESELLSCHAFT (DE) 1997-08-19 US disclosed
EP-0657434-A1 Arylsubstituted -alkoxy-1,4-dihydropyridin-5-carbonic acid esters with cerebral activity BAYER AG (DE) 1995-06-14 EP disclosed
US-5276150-A Vasodilators, anticoagulants, calcium channel blockers FUJIREBIO INC. (JP) 1994-01-04 US disclosed
EP-0400660-A1 1,4-dihydropyridine derivatives FUJIREBIO INC. (JP) 1990-12-05 EP disclosed
US-4798840-A Coronary-active fluorine-containing 1,4-dihydropyridines BAYER AKTIENGESELLSCHAFT (DE) 1989-01-17 US disclosed
EP-0225574-A1 Novel 1,4-dihydropyridines containing fluorine, process for their preparation and their use as medicaments BAYER AG (DE) 1987-06-16 EP disclosed
EP-0088276-B1 COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL PREPARATIONS BAYER AG (DE) 1986-04-30 EP disclosed
EP-0088276-A1 Compounds, process for their preparation and their use as pharmaceutical preparations BAYER AG (DE) 1983-09-14 EP disclosed
EP-0012180-A1 1,4-Dihydropyridine compounds, their preparation, pharmaceutical compositions containing said compounds and preparation of these compositions BAYER AG (DE) 1980-06-25 EP disclosed
EP-0002208-A1 Nitro 1,4-dihydropyridines, medicaments containing them and their manufacture BAYER AG (DE) 1979-06-13 EP disclosed
EP-0001769-A1 Sulfur-containing esters of 1,4-dihydropyridine carboxylic acids, their preparation and pharmaceutical use BAYER AG (DE) 1979-05-16 EP disclosed