SCHEMBL7380694

SCHEMBL7380694

C=CCOc1ccccc1C1C(C(=O)O)=C(C)NC(C(OC)OC)=C1C(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.47
GAA P10253 3/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.42
TSHR P16473 2/20 0.41
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL7380940 0.86 NR1I2 (0.55) NR1I2GAAKDM4EMAPTTSHR
SCHEMBL7379344 0.84 NR1I2 (0.47) NR1I2GAAKDM4EMAPTTSHR
SCHEMBL7377766 0.84 NR1I2 (0.47) NR1I2GAAKDM4EMAPTTSHR
SCHEMBL7374071 0.83 NR1I2 (0.46) NR1I2GAAKDM4EMAPTTSHR
SCHEMBL7382176 0.81 TSHR (0.51) NR1I2GAAKDM4EMAPTTSHR
SCHEMBL7379284 0.80 NR1I2 (0.47) NR1I2KDM4EMAPTTSHRTP53
SCHEMBL7379723 0.80 KDM4E (0.45) NR1I2GAAKDM4EMAPTTSHR
SCHEMBL7381416 0.79 KDM4E (0.49) NR1I2GAAKDM4EMAPTTSHR
SCHEMBL11189265 0.79 NR1I2 (0.48) NR1I2KDM4EMAPTTSHRTP53
SCHEMBL7385215 0.78 ADORA3 (0.57) KDM4EMAPTTSHRHTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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