SCHEMBL9687031

SCHEMBL9687031

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

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
NPSR1 Q6W5P4 1/20 0.36
ADAM17 P78536 1/20 0.30

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
SCHEMBL11345857 0.82 SMN1; SMN2 (0.38) ADAM17
SCHEMBL9688267 0.82 CYP4F2 (0.50) CYP4F2CYP4A11NPSR1
SCHEMBL21772022 0.79 CYP4F2 (0.46) CYP4F2CYP4A11NPSR1
SCHEMBL9688048 0.79 CYP2C19 (0.42)
SCHEMBL609232 0.76 CYP4F2 (0.50) CYP4F2CYP4A11NPSR1
SCHEMBL6626687 0.76 CYP4F2 (0.50) CYP4F2CYP4A11NPSR1
SCHEMBL1934586 0.75 CYP2C19 (0.47) CYP4F2CYP4A11
SCHEMBL1750858 0.74 CYP4F2 (0.49) CYP4F2CYP4A11NPSR1
SCHEMBL609248 0.74 CYP4F2 (0.49) CYP4F2CYP4A11NPSR1
SCHEMBL3952155 0.74 CYP4F2 (0.56) CYP4F2CYP4A11NPSR1

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