SCHEMBL7366816

SCHEMBL7366816

CC(=O)Oc1ccc(/C=C/CC2(c3cccc([N+](=O)[O-])c3)C(C(=O)O)=C(C)N(C)C(C)=C2C(=O)O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 2/20 0.39
NFE2L2 Q16236 3/20 0.38
MAPT P10636 4/20 0.38
HSP90AA1 P07900 1/20 0.36
CCR6 P51684 1/20 0.36
GAA P10253 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTT P42858 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PTPN1 P18031 1/20 0.36
PTPN12 Q05209 1/20 0.36
PTPN22 Q9Y2R2 1/20 0.36
MLNR O43193 1/20 0.36
NR1I2 O75469 1/20 0.36
CACNA1H O95180 1/20 0.36
NR3C1 P04150 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
TBXA2R P21731 1/20 0.36
PDE4D Q08499 1/20 0.36

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
SCHEMBL9249991 0.89 CACNA1B (0.45) CACNA1BNFE2L2MAPTHTTMEN1
SCHEMBL7326485 0.89 CACNA1B (0.45) CACNA1BNFE2L2MAPTHTTMEN1
SCHEMBL7365756 0.88 CACNA1B (0.40) CACNA1BNFE2L2MAPTHTTMEN1
SCHEMBL7283842 0.86 MEN1 (0.38) CACNA1BNFE2L2MAPTHTTMEN1
SCHEMBL9830227 0.80 HTT (0.47) CACNA1BNFE2L2MAPTTDP1HTT
SCHEMBL7284284 0.78 CACNA1B (0.37) CACNA1BNFE2L2MAPTHTTMEN1
SCHEMBL9831502 0.78 MAOB (0.40) CACNA1BNFE2L2MAPTHTTMEN1
SCHEMBL4883866 0.77 TP53 (0.43) MAPTTDP1MEN1KMT2AADORA3
SCHEMBL9266555 0.74 GAA (0.41) MAPTGAAHTTMEN1KMT2A
SCHEMBL8827906 0.74 ALDH1A1 (0.39) MAPTKMT2AALDH1A1KDM4ELMNA

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-0145434-A2 Novel dihydropyridine derivatives and process for preparing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1985-06-19 EP disclosed