SCHEMBL7266648

SCHEMBL7266648

COc1cccc(C2C(C(=O)O)=C(C)NC(C)=C2[N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 6/20 0.49
CACNA1F O60840 4/20 0.49
CACNA1D Q01668 4/20 0.49
CACNA1S Q13698 4/20 0.49
CACNA1B Q00975 1/20 0.48
ADORA3 P0DMS8 4/20 0.47
CYP3A4 P08684 7/20 0.47
CYP2C9 P11712 7/20 0.47
CYP2C19 P33261 7/20 0.47
MAPT P10636 6/20 0.47
CYP1A2 P05177 6/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
TSHR P16473 4/20 0.47
NFKB1 P19838 4/20 0.47
HIF1A Q16665 3/20 0.47
CYP2D6 P10635 3/20 0.47
THPO P40225 2/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL7265309 0.87 CACNA1C (0.51) CACNA1CCACNA1FCACNA1DCACNA1SCACNA1B
SCHEMBL10564440 0.86 CACNA1F (0.61) CACNA1CCACNA1FCACNA1DCACNA1SCACNA1B
SCHEMBL28762620 0.85 CACNA1B (0.51) CACNA1CCACNA1FCACNA1DCACNA1SCACNA1B
SCHEMBL7272316 0.84 CACNA1F (0.62) CACNA1CCACNA1FCACNA1DCACNA1SCACNA1B
SCHEMBL9617833 0.84 CACNA1F (0.62) CACNA1CCACNA1FCACNA1DCACNA1SCACNA1B
SCHEMBL27763855 0.84 CYP3A4 (0.41) CACNA1CCACNA1FCACNA1DCACNA1SCACNA1B
SCHEMBL27286151 0.84 MAPT (0.55) CACNA1CCACNA1FCACNA1DCACNA1SCACNA1B
SCHEMBL7272376 0.83 CACNA1B (0.53) CACNA1CCACNA1FCACNA1DCACNA1SCACNA1B
SCHEMBL7275646 0.81 CACNA1F (0.71) CACNA1CCACNA1FCACNA1DCACNA1SCACNA1B
SCHEMBL7273432 0.81 CACNA1C (0.48) CACNA1CCACNA1FCACNA1DCACNA1SCACNA1B

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
US-4920225-A Resolution of 1,4-dihydropyridine derivatives LABORATOIRES SYNTEX S.A. (FR) 1990-04-24 US disclosed
EP-0273349-A2 Resolution of 1,4-dihydropyridine derivatives LABORATOIRES SYNTEX S.A. (FR) 1988-07-06 EP disclosed