SCHEMBL9688857

SCHEMBL9688857

CC#CCCC1(C(=O)O)CCC1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.39
TBXAS1 P24557 2/20 0.31

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
SCHEMBL9688267 0.80 CYP4F2 (0.50)
SCHEMBL9688048 0.80 CYP2C19 (0.42) CYP2C19
SCHEMBL1934586 0.76 CYP2C19 (0.47) CYP2C19
SCHEMBL4580987 0.73 CYP2C19 (0.46) CYP2C19TBXAS1
SCHEMBL28549876 0.72 CYP2C19 (0.47) CYP2C19TBXAS1
SCHEMBL9183856 0.71 CYP2C19 (0.61) CYP2C19TBXAS1
SCHEMBL798439 0.70 TBXAS1 (0.50) CYP2C19TBXAS1
SCHEMBL1327047 0.69 CYP2C19 (0.43) CYP2C19TBXAS1
SCHEMBL9183557 0.69 CYP2C19 (0.65) CYP2C19TBXAS1
SCHEMBL9180415 0.69 CYP2C19 (0.65) CYP2C19TBXAS1

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-5124343-A Carbacyclins, process for the preparation thereof, and use thereof as medicinal agents SCHERING AKTIENGESELLSCHAFT (DE) 1992-06-23 US disclosed