SCHEMBL10686282

SCHEMBL10686282

COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCCOc2ccc(CCCO)cc2)C1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 7/20 0.67
CACNA1D Q01668 7/20 0.67
CACNA1S Q13698 7/20 0.67
CACNA1C Q13936 7/20 0.67
HIF1A Q16665 3/20 0.66
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
MAPT P10636 3/20 0.66
CYP1A2 P05177 2/20 0.66
CYP3A4 P08684 2/20 0.66
CYP2C9 P11712 2/20 0.66
CYP2C19 P33261 2/20 0.66
LMNA P02545 1/20 0.66
POLB P06746 1/20 0.66
MAPK1 P28482 1/20 0.66
GPR55 Q9Y2T6 1/20 0.66
CYP2D6 P10635 1/20 0.66
TSHR P16473 1/20 0.66
NFKB1 P19838 1/20 0.66
THPO P40225 1/20 0.66

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
SCHEMBL10682928 0.98 MEN1 (0.66) CACNA1FCACNA1DCACNA1SCACNA1CHIF1A
SCHEMBL10685938 0.98 CACNA1F (0.66) CACNA1FCACNA1DCACNA1SCACNA1CHIF1A
SCHEMBL10683469 0.97 MEN1 (0.67) CACNA1FCACNA1DCACNA1SCACNA1CHIF1A
SCHEMBL10679184 0.96 MEN1 (0.65) CACNA1FCACNA1DCACNA1SCACNA1CHIF1A
SCHEMBL10687184 0.96 CACNA1F (0.68) CACNA1FCACNA1DCACNA1SCACNA1CHIF1A
SCHEMBL10684790 0.95 MEN1 (0.66) CACNA1FCACNA1DCACNA1SCACNA1CHIF1A
SCHEMBL10679085 0.94 MEN1 (0.67) CACNA1FCACNA1DCACNA1SCACNA1CHIF1A
SCHEMBL10679450 0.94 MEN1 (0.67) CACNA1FCACNA1DCACNA1SCACNA1CHIF1A
SCHEMBL10759785 0.94 MEN1 (0.67) CACNA1FCACNA1DCACNA1SCACNA1CHIF1A
SCHEMBL10679075 0.94 MEN1 (0.67) CACNA1FCACNA1DCACNA1SCACNA1CHIF1A

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
US-4761420-A CARDIOVASCULAR DISORDERS LABORATOIRES SYNTEX S.A. (FR) 1988-08-02 US disclosed