SCHEMBL9045340

SCHEMBL9045340

CC1=C(OC(=O)OC(C)C)C(c2cccc(Cl)c2Cl)C2=C(C(=O)OC2)N1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYGL P06737 10/20 0.36
PYGM P11217 10/20 0.36
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALOX15 P16050 1/20 0.33
CYP2C9 P11712 3/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C19 P33261 2/20 0.32
KMT2A Q03164 2/20 0.32
HIF1A Q16665 2/20 0.32
HSD17B10 Q99714 2/20 0.32
TSHR P16473 2/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL8086984 0.86 PYGL (0.45) PYGLPYGMLMNAL3MBTL1ALDH1A1
SCHEMBL9047294 0.80 ALOX15 (0.40) PYGLPYGMLMNAL3MBTL1ALDH1A1
SCHEMBL9046285 0.76 KMT2A (0.45) PYGLPYGMLMNAL3MBTL1ALDH1A1
SCHEMBL9045462 0.70 SLC6A3 (0.38) PYGLPYGMLMNAHTTCYP2C9
SCHEMBL8441926 0.70 TSHR (0.42) PYGLPYGMLMNAL3MBTL1ALDH1A1
SCHEMBL9829022 0.70 PYGL (0.48) PYGLPYGMALOX15
SCHEMBL8082470 0.69 ALOX15 (0.51) PYGLPYGMLMNAL3MBTL1ALDH1A1
SCHEMBL10376495 0.68 PYGL (0.44) PYGLPYGML3MBTL1ALDH1A1POLB
SCHEMBL10374293 0.67 PYGM (0.49) PYGLPYGM
SCHEMBL9048171 0.67 HSD17B10 (0.49) ALDH1A1SMN1; SMN2ALOX15KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0705830-A1 2,3-Cyclic condensed 1,4-dihydropyridines, process for their preparation and their use as K-channel modulators BAYER AG (DE) 1996-04-10 EP disclosed