SCHEMBL7272403

SCHEMBL7272403

COC(=O)C1=C(O)NC(C)=C(C(=O)OCCCCCc2ccccc2)C1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.68
MEN1 O00255 4/20 0.68
KMT2A Q03164 4/20 0.68
TDP1 Q9NUW8 3/20 0.68
CACNA1C Q13936 8/20 0.67
CACNA1F O60840 7/20 0.67
CACNA1D Q01668 7/20 0.67
CACNA1S Q13698 7/20 0.67
CYP1A2 P05177 5/20 0.66
CYP3A4 P08684 5/20 0.66
CYP2C9 P11712 5/20 0.66
CYP2C19 P33261 5/20 0.66
LMNA P02545 4/20 0.66
CYP2D6 P10635 4/20 0.66
TSHR P16473 3/20 0.66
NPC1 O15118 1/20 0.66
ABCC4 O15439 1/20 0.66
ABCB11 O95342 1/20 0.66
PGR P06401 1/20 0.66
CHRM2 P08172 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
SCHEMBL9712629 0.91 MAPT (0.77) MAPTMEN1KMT2ATDP1CACNA1C
SCHEMBL7266643 0.90 CACNA1F (0.80) MAPTMEN1KMT2ACACNA1CCACNA1F
SCHEMBL7271700 0.89 MEN1 (0.74) MAPTMEN1KMT2ATDP1CACNA1C
SCHEMBL11739916 0.88 MAPT (0.80) MAPTMEN1KMT2ATDP1CACNA1C
SCHEMBL7274713 0.87 CYP1A2 (0.67) MAPTMEN1KMT2ATDP1CACNA1C
SCHEMBL10759264 0.86 MEN1 (0.71) MAPTMEN1KMT2ATDP1CACNA1C
SCHEMBL7271271 0.85 CYP1A2 (0.91) MAPTMEN1KMT2ATDP1CACNA1C
SCHEMBL7274412 0.85 HIF1A (0.76) MAPTMEN1KMT2ATDP1CACNA1C
SCHEMBL10901192 0.84 CACNA1F (0.89) MAPTMEN1KMT2ACACNA1CCACNA1F
SCHEMBL11199449 0.84 CACNA1F (0.80) MAPTMEN1KMT2ACACNA1CCACNA1F

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0207514-B1 1,4-DIHYDROPYRIDINE DERIVATIVES, PROCESS FOR PREPARING THEM, PHARMACEUTICAL COMPOSITION AND USE SUNTORY LIMITED (JP) 1993-09-29 EP disclosed
US-4824837-A VASODILATORS SUNTORY LIMITED (JP) 1989-04-25 US disclosed
EP-0207514-A2 1,4-Dihydropyridine derivatives, process for preparing them, pharmaceutical composition and use SUNTORY LIMITED (JP) 1987-01-07 EP disclosed