SCHEMBL28062077

SCHEMBL28062077

CCC(C)(C)OC(=O)C(O)CCCCO

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.38
CYP4A11 Q02928 3/20 0.38
GPR84 Q9NQS5 3/20 0.35
FFAR1 O14842 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
PTGS1 P23219 1/20 0.30
KCNH2 Q12809 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL23151999 0.84 TDP1 (0.44) CYP4F2CYP4A11GPR84FFAR1TDP1
SCHEMBL2467809 0.83 OR51E2 (0.36) CYP4F2CYP4A11TDP1
SCHEMBL27493572 0.82 TDP1 (0.47) CYP4F2CYP4A11GPR84FFAR1TDP1
SCHEMBL28984430 0.79 CYP4F2 (0.38) CYP4F2CYP4A11GPR84FFAR1TDP1
SCHEMBL4741507 0.78 TDP1 (0.42) CYP4F2CYP4A11GPR84FFAR1TDP1
SCHEMBL4741502 0.78 TDP1 (0.42) CYP4F2CYP4A11GPR84FFAR1TDP1
SCHEMBL17029105 0.76 CYP4F2 (0.43) CYP4F2CYP4A11GPR84FFAR1
SCHEMBL21552643 0.74 CYP4F2 (0.46) CYP4F2CYP4A11GPR84FFAR1
SCHEMBL21552405 0.74 CYP4F2 (0.46) CYP4F2CYP4A11GPR84FFAR1
SCHEMBL21551948 0.74 CYP4F2 (0.46) CYP4F2CYP4A11GPR84FFAR1

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
CN-104059048-B A kind of preparation method of the chiral intermediate for statins 凯莱英医药集团(天津)股份有限公司 2016-06-08 CN disclosed