SCHEMBL9502237

SCHEMBL9502237

CC1=C(C(=O)O)C(c2ccccc2/C=C/C(=O)OC(C)(C)C)C(C(=O)O)=C(C#N)N1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.64
NR1I2 O75469 2/20 0.64
ADORA3 P0DMS8 2/20 0.64
PDE4D Q08499 2/20 0.64
HTT P42858 1/20 0.64
PGR P06401 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2C9 P11712 1/20 0.64
SLC6A2 P23975 1/20 0.64
TBXAS1 P24557 1/20 0.64
CYP2C19 P33261 1/20 0.64
DRD3 P35462 1/20 0.64
OPRK1 P41145 1/20 0.64
KCNH2 Q12809 1/20 0.64
CACNA1B Q00975 8/20 0.35
NR3C2 P08235 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
ABCB1 P08183 2/20 0.33

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
SCHEMBL9502245 1.00 LMNA (0.64) LMNANR1I2ADORA3PDE4DHTT
SCHEMBL10495738 0.90 LMNA (0.76) LMNANR1I2ADORA3PDE4DHTT
SCHEMBL8595500 0.90 LMNA (0.76) LMNANR1I2ADORA3PDE4DHTT
SCHEMBL8595497 0.90 LMNA (0.76) LMNANR1I2ADORA3PDE4DHTT
SCHEMBL9873105 0.84 CYP2C9 (0.74) LMNANR1I2ADORA3PDE4DHTT
SCHEMBL9502769 0.84 LMNA (0.65) LMNANR1I2ADORA3PDE4DHTT
SCHEMBL9873112 0.84 CYP2C9 (0.74) LMNANR1I2ADORA3PDE4DHTT
SCHEMBL9502762 0.84 LMNA (0.65) LMNANR1I2ADORA3PDE4DHTT
SCHEMBL9501997 0.84 LMNA (0.67) LMNANR1I2ADORA3PDE4DHTT
SCHEMBL9501988 0.84 LMNA (0.67) LMNANR1I2ADORA3PDE4DHTT

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
EP-0242950-B1 DIHYDROPYRIDINES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS THERAPEUTICS GLAXO S.p.A. (IT) 1993-05-26 EP claimed
US-4935548-A CARDIOVASCULAR DISORDERS; HYPOTENSIVE AGENTS GLAXO S.P.A (IT) 1990-06-19 US claimed
EP-0242950-A2 dihydropyridines, process for their preparation and their use as therapeutics GLAXO S.p.A. (IT) 1987-10-28 EP claimed
EP-0242950-B1 DIHYDROPYRIDINES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS THERAPEUTICS GLAXO S.p.A. (IT) 1993-05-26 EP disclosed
US-4935548-A CARDIOVASCULAR DISORDERS; HYPOTENSIVE AGENTS GLAXO S.P.A (IT) 1990-06-19 US disclosed
EP-0242950-A2 dihydropyridines, process for their preparation and their use as therapeutics GLAXO S.p.A. (IT) 1987-10-28 EP disclosed