SCHEMBL7380442

SCHEMBL7380442

CCOC(=O)C1=C(C)NC(C(OCC)OCC)=C(C(=O)OCC)C1c1cccc(O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.56
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 3/20 0.54
TSHR P16473 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CACNA1F O60840 9/20 0.54
CACNA1D Q01668 9/20 0.54
CACNA1S Q13698 9/20 0.54
CACNA1C Q13936 9/20 0.54
ADORA3 P0DMS8 2/20 0.54
HIF1A Q16665 3/20 0.50
MEN1 O00255 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 2/20 0.50
POLB P06746 2/20 0.50
LMNA P02545 2/20 0.50

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
SCHEMBL11785984 0.87 KDM4E (0.70) KIF11KDM4EALDH1A1TSHRSMN1; SMN2
SCHEMBL7382267 0.84 CACNA1F (0.78) TSHRCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL17367959 0.82 KDM4E (0.64) KIF11KDM4EALDH1A1TSHRSMN1; SMN2
SCHEMBL7381268 0.81 KIF11 (0.60) KIF11KDM4EALDH1A1TSHRSMN1; SMN2
SCHEMBL11170529 0.80 CACNA1F (0.71) TSHRCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL11446581 0.80 CACNA1F (0.71) TSHRCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7373883 0.80 CACNA1F (0.72) TSHRCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7383740 0.80 KIF11 (0.58) KIF11KDM4EALDH1A1TSHRSMN1; SMN2
SCHEMBL7380821 0.79 CACNA1F (0.71) TSHRCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7382302 0.79 CACNA1F (0.74) TSHRCACNA1FCACNA1DCACNA1SCACNA1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4284634-A HYPOTENSIVE VASODILATORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-08-18 US claimed
US-4525478-A Certain 4-aryl-1,4-dihydro-3,5-pyridinedicarboxylates having vasodilating and anti-hypertensive properties FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-06-25 US disclosed
US-4370334-A VASODILATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-01-25 US disclosed
US-4338322-A 1,4-Dihydropyridine derivatives, pharmaceutical compositions containing same and methods of effecting vasodilation using same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-07-06 US disclosed
US-4284634-A HYPOTENSIVE VASODILATORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-08-18 US disclosed
US-4145432-A 6-ACYLORYALKYL-1,4-DIHYDROPYRIDINE DERIVATIVES AND A METHOD OF EFFECTING VASODILATION THEREWITH FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1979-03-20 US disclosed