SCHEMBL8776128

SCHEMBL8776128

COC(CCC1(C(=O)O)CCCC1)OC

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.42
CYP4F2 P78329 2/20 0.38
CYP4A11 Q02928 2/20 0.38
TBXAS1 P24557 2/20 0.33
MME P08473 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
SCHEMBL9266989 0.84 CYP4F2 (0.56) CYP4F2CYP4A11MME
SCHEMBL5520693 0.77 CYP2C19 (0.50) CYP2C19CYP4F2CYP4A11TBXAS1MME
SCHEMBL9183856 0.75 CYP2C19 (0.61) CYP2C19CYP4F2CYP4A11TBXAS1MME
SCHEMBL3877084 0.75 CYP2C19 (0.47) CYP2C19CYP4F2CYP4A11TBXAS1MME
SCHEMBL28280588 0.74 CYP2C19 (0.47) CYP2C19CYP4F2CYP4A11TBXAS1MME
SCHEMBL28278251 0.73 CYP2C19 (0.50) CYP2C19CYP4F2CYP4A11TBXAS1MME
SCHEMBL18602071 0.73 CYP2C19 (0.46) CYP2C19TBXAS1MME
SCHEMBL9180415 0.73 CYP2C19 (0.65) CYP2C19CYP4F2CYP4A11TBXAS1MME
SCHEMBL9183557 0.73 CYP2C19 (0.65) CYP2C19CYP4F2CYP4A11TBXAS1MME
SCHEMBL4277564 0.71 CYP2C19 (0.52) CYP2C19CYP4F2CYP4A11TBXAS1MME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0570263-B1 New alkene carboxylic acid derivatives, process for their preparation and pharmaceutic compositions containing them ADIR (FR) 1997-12-03 EP disclosed
US-5436343-A Thromboxane A2 receptor antagonist, thromoboxane A2 synthase inhibitor ADIR ET COMPAGNIE (FR) 1995-07-25 US disclosed
EP-0570263-A1 New alkene carboxylic acid derivatives, process for their preparation and pharmaceutic compositions containing them ADIR ET COMPAGNIE (FR) 1993-11-18 EP disclosed