SCHEMBL9873200

SCHEMBL9873200

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.57
NR1I2 O75469 2/20 0.57
PGR P06401 2/20 0.57
ADORA3 P0DMS8 2/20 0.57
DRD3 P35462 2/20 0.57
PDE4D Q08499 2/20 0.57
KCNH2 Q12809 2/20 0.57
HTT P42858 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
SLC6A2 P23975 1/20 0.57
TBXAS1 P24557 1/20 0.57
CYP2C19 P33261 1/20 0.57
OPRK1 P41145 1/20 0.57
CACNA1F O60840 6/20 0.47
CACNA1D Q01668 6/20 0.47
CACNA1S Q13698 6/20 0.47
CACNA1C Q13936 6/20 0.47
ABCC4 O15439 1/20 0.46
ABCB11 O95342 1/20 0.46

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
SCHEMBL9873204 1.00 LMNA (0.57) LMNANR1I2PGRADORA3DRD3
SCHEMBL10495665 0.90 LMNA (0.52) LMNANR1I2PGRADORA3DRD3
SCHEMBL9871869 0.89 ADORA3 (0.67) LMNANR1I2PGRADORA3DRD3
SCHEMBL9871872 0.89 ADORA3 (0.67) LMNANR1I2PGRADORA3DRD3
SCHEMBL9872624 0.85 CYP3A4 (0.54) LMNANR1I2PGRADORA3DRD3
SCHEMBL9872633 0.85 CYP3A4 (0.54) LMNANR1I2PGRADORA3DRD3
SCHEMBL10495671 0.85 ADORA3 (0.55) LMNANR1I2PGRADORA3DRD3
SCHEMBL10495662 0.85 ADORA3 (0.55) LMNANR1I2PGRADORA3DRD3
SCHEMBL9871528 0.83 ADORA3 (0.57) LMNANR1I2PGRADORA3DRD3
SCHEMBL9871535 0.83 ADORA3 (0.57) LMNANR1I2PGRADORA3DRD3

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