SCHEMBL28107143

SCHEMBL28107143

COc1ccc(F)cc1CCC(=O)CCc1cc(F)ccc1OC

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.49
FFAR4 Q5NUL3 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
SLC6A2 P23975 11/20 0.46
SLC6A4 P31645 11/20 0.46
SLC6A3 Q01959 11/20 0.46
ALOX5 P09917 1/20 0.45

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
SCHEMBL2691039 0.83 CYP4F2 (0.50) FFAR1FFAR4SMN1; SMN2ALDH1A1GAA
SCHEMBL20152947 0.83 ALOX5 (0.49) ALDH1A1ALOX5
SCHEMBL7332981 0.83 HSD17B10 (0.63)
SCHEMBL8996459 0.82 FFAR4 (0.56) FFAR1FFAR4SMN1; SMN2ALDH1A1GAA
SCHEMBL14462255 0.81 SMN1; SMN2 (0.48) FFAR1FFAR4SMN1; SMN2ALDH1A1GAA
SCHEMBL18894529 0.80 SLC6A2 (0.49) SMN1; SMN2ALDH1A1GAASLC6A2SLC6A4
SCHEMBL30800373 0.80 MTNR1A (0.60) ALOX5
SCHEMBL7331644 0.80 MTNR1A (0.60) ALOX5
SCHEMBL27643697 0.79 NPSR1 (0.46) FFAR1FFAR4ALDH1A1SLC6A4
SCHEMBL12844526 0.78 HMGCR (0.53) SLC6A2SLC6A4SLC6A3ALOX5

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-103936819-B Hepatitis c virus inhibitors 百时美施贵宝公司 2016-11-16 CN disclosed