SCHEMBL9737362

SCHEMBL9737362

CCCCCCCCOC(=O)C(C)=Cc1ccccc1C1C(C(=O)OCC)=C(C)NC(C)=C1C(=O)OCC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
CYP3A4 P08684 3/20 0.52
CYP2C9 P11712 3/20 0.52
CYP2C19 P33261 3/20 0.52
HTT P42858 2/20 0.52
NR1I2 O75469 1/20 0.52
PGR P06401 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
SLC6A2 P23975 1/20 0.52
TBXAS1 P24557 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
CACNA1F O60840 5/20 0.49
CACNA1D Q01668 5/20 0.49
CACNA1S Q13698 5/20 0.49
CACNA1C Q13936 5/20 0.49
MGAM O43451 1/20 0.46
AMY1A P0DUB6 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
SCHEMBL9737354 1.00 LMNA (0.52) LMNACYP3A4CYP2C9CYP2C19HTT
SCHEMBL9737348 1.00 LMNA (0.52) LMNACYP3A4CYP2C9CYP2C19HTT
SCHEMBL9737867 0.92 CYP2C9 (0.56) LMNACYP3A4CYP2C9CYP2C19HTT
SCHEMBL9737858 0.92 CYP2C9 (0.56) LMNACYP3A4CYP2C9CYP2C19HTT
SCHEMBL9737405 0.90 CYP2C9 (0.60) LMNACYP3A4CYP2C9CYP2C19HTT
SCHEMBL9737396 0.90 CYP2C9 (0.60) LMNACYP3A4CYP2C9CYP2C19HTT
SCHEMBL9680880 0.88 LMNA (0.52) LMNACYP3A4CYP2C9CYP2C19HTT
SCHEMBL9680875 0.88 LMNA (0.52) LMNACYP3A4CYP2C9CYP2C19HTT
SCHEMBL9680643 0.83 ADORA3 (0.60) LMNACYP3A4CYP2C9CYP2C19HTT
SCHEMBL9680632 0.83 ADORA3 (0.60) LMNACYP3A4CYP2C9CYP2C19HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5091395-A Hypotensive agents GLAXO S.P.A. (IT) 1992-02-25 US disclosed