SCHEMBL9501988

SCHEMBL9501988

CC1=C(C(=O)O)C(c2ccccc2/C=C/C(=O)OC(C)(C)C)C(C(=O)O)=C(CO)N1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.67
HTT P42858 1/20 0.67
NR1I2 O75469 1/20 0.67
PGR P06401 1/20 0.67
CYP3A4 P08684 1/20 0.67
ADORA3 P0DMS8 1/20 0.67
CYP2C9 P11712 1/20 0.67
SLC6A2 P23975 1/20 0.67
TBXAS1 P24557 1/20 0.67
CYP2C19 P33261 1/20 0.67
DRD3 P35462 1/20 0.67
OPRK1 P41145 1/20 0.67
PDE4D Q08499 1/20 0.67
KCNH2 Q12809 1/20 0.67
CACNA1B Q00975 8/20 0.37
IDO1 P14902 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
NR1H4 Q96RI1 1/20 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
SCHEMBL9501997 1.00 LMNA (0.67) LMNAHTTNR1I2PGRCYP3A4
SCHEMBL8595497 0.90 LMNA (0.76) LMNAHTTNR1I2PGRCYP3A4
SCHEMBL10495738 0.90 LMNA (0.76) LMNAHTTNR1I2PGRCYP3A4
SCHEMBL8595500 0.90 LMNA (0.76) LMNAHTTNR1I2PGRCYP3A4
SCHEMBL9680676 0.89 LMNA (0.63) LMNAHTTNR1I2PGRCYP3A4
SCHEMBL9680655 0.89 LMNA (0.63) LMNAHTTNR1I2PGRCYP3A4
SCHEMBL9680661 0.89 LMNA (0.63) LMNAHTTNR1I2PGRCYP3A4
SCHEMBL9680664 0.89 LMNA (0.63) LMNAHTTNR1I2PGRCYP3A4
SCHEMBL29262164 0.85 ADORA3 (0.92) LMNAHTTNR1I2PGRCYP3A4
SCHEMBL29261988 0.85 ADORA3 (0.92) LMNAHTTNR1I2PGRCYP3A4

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 5 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
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