SCHEMBL7380877

SCHEMBL7380877

COC(=O)C1=C(C)NC(C(C)(OC)OC)=C(C(=O)OC)C1c1ccccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.54
HSD17B10 Q99714 6/20 0.54
ALDH1A1 P00352 6/20 0.54
CYP2C9 P11712 4/20 0.54
CYP3A4 P08684 4/20 0.54
ABCB11 O95342 4/20 0.54
HPGD P15428 4/20 0.54
TSHR P16473 4/20 0.54
GAA P10253 4/20 0.54
TBXA2R P21731 3/20 0.54
ADRA1A P35348 3/20 0.54
SLC6A3 Q01959 3/20 0.54
CYP1A2 P05177 3/20 0.54
CYP2C19 P33261 3/20 0.54
KMT2A Q03164 3/20 0.54
HIF1A Q16665 3/20 0.54
ADORA3 P0DMS8 3/20 0.54
SCN5A Q14524 3/20 0.54
NR1I2 O75469 3/20 0.54
MEN1 O00255 2/20 0.54

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
SCHEMBL3035724 0.86 KDM4E (0.68) KDM4EHSD17B10ALDH1A1CYP2C9CYP3A4
SCHEMBL29676073 0.86 KDM4E (0.68) KDM4EHSD17B10ALDH1A1CYP2C9CYP3A4
SCHEMBL8222573 0.83 CYP2C9 (0.59) KDM4EHSD17B10ALDH1A1CYP2C9CYP3A4
SCHEMBL9008583 0.81 CACNA1B (0.49) KDM4EHSD17B10ALDH1A1CYP2C9CYP3A4
SCHEMBL15463889 0.81 KDM4E (0.62) KDM4EHSD17B10ALDH1A1CYP2C9CYP3A4
SCHEMBL3026759 0.81 KDM4E (0.62) KDM4EHSD17B10ALDH1A1CYP2C9CYP3A4
SCHEMBL3021914 0.81 KDM4E (0.62) KDM4EHSD17B10ALDH1A1CYP2C9CYP3A4
SCHEMBL11003021 0.80 KDM4E (0.60) KDM4EHSD17B10ALDH1A1CYP2C9CYP3A4
SCHEMBL7378393 0.79 KDM4E (0.57) KDM4EHSD17B10ALDH1A1CYP2C9CYP3A4
SCHEMBL3031020 0.79 ADORA3 (0.82) KDM4EHSD17B10ALDH1A1CYP2C9CYP3A4

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