SCHEMBL9874306

SCHEMBL9874306

CC1=C(C(=O)O)C(c2ccccc2/C=C/C(=O)OC2CCCC2)C(C(=O)O)=C(C)N1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 2/20 0.52
LMNA P02545 1/20 0.52
HTT P42858 1/20 0.52
PGR P06401 1/20 0.52
CYP3A4 P08684 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
CYP2C9 P11712 1/20 0.52
SLC6A2 P23975 1/20 0.52
TBXAS1 P24557 1/20 0.52
CYP2C19 P33261 1/20 0.52
DRD3 P35462 1/20 0.52
OPRK1 P41145 1/20 0.52
PDE4D Q08499 1/20 0.52
KCNH2 Q12809 1/20 0.52
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
CACNA1B Q00975 2/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NR3C2 P08235 1/20 0.38

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
SCHEMBL9874319 1.00 NR1I2 (0.52) NR1I2LMNAHTTPGRCYP3A4
SCHEMBL9873166 0.99 LMNA (0.51) NR1I2LMNAHTTPGRCYP3A4
SCHEMBL9873154 0.99 LMNA (0.51) NR1I2LMNAHTTPGRCYP3A4
SCHEMBL27276045 0.87 LMNA (0.70) NR1I2LMNAHTTPGRCYP3A4
SCHEMBL9872999 0.87 LMNA (0.51) NR1I2LMNAHTTPGRCYP3A4
SCHEMBL9872997 0.87 LMNA (0.51) NR1I2LMNAHTTPGRCYP3A4
SCHEMBL9682255 0.86 LMNA (0.68) NR1I2LMNAHTTPGRCYP3A4
SCHEMBL9682264 0.86 LMNA (0.68) NR1I2LMNAHTTPGRCYP3A4
SCHEMBL9871528 0.83 ADORA3 (0.57) NR1I2LMNAHTTPGRCYP3A4
SCHEMBL9871535 0.83 ADORA3 (0.57) NR1I2LMNAHTTPGRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5011848-A Cardiovascular disorders, hypotensive agents GLAXO, S.P.A. (IT) 1991-04-30 US disclosed
US-4801599-A CARDIOVASCULAR DISORDERS, HYPOTENSIVE AGENTS GLAXO S.P.A. (IT) 1989-01-31 US disclosed