SCHEMBL9752901

SCHEMBL9752901

CC(C)C(=O)c1c(O)cc(O)c(C(=O)C(C)C)c1O.CCC(=O)c1c(O)c(C)c(O)c(C(=O)CC)c1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.66
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP3A4 P08684 1/20 0.47
PTGS1 P23219 1/20 0.47
DRD3 P35462 1/20 0.47
PLA2G2A P14555 2/20 0.41
PLA2G5 P39877 2/20 0.41
FASN P49327 2/20 0.39
FBP1 P09467 1/20 0.37
PTGES O14684 2/20 0.37
ALOX5 P09917 2/20 0.37
SOAT2 O75908 1/20 0.36
SOAT1 P35610 1/20 0.36
KDM4E B2RXH2 1/20 0.34
DBH P09172 1/20 0.34
GAA P10253 1/20 0.34
RECQL P46063 1/20 0.34
LMNA P02545 2/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL31040544 0.90 FFAR1 (0.75) FFAR1MEN1KMT2ACYP3A4PTGS1
SCHEMBL9752926 0.81 FFAR1 (1.00) FFAR1MEN1KMT2ACYP3A4PTGS1
SCHEMBL9752580 0.79 PLA2G2A (0.59) FFAR1MEN1KMT2ACYP3A4PTGS1
SCHEMBL20556449 0.78 CYP3A4 (0.59) FFAR1MEN1KMT2ACYP3A4PTGS1
SCHEMBL10910737 0.74 FFAR1 (0.54) FFAR1MEN1KMT2ACYP3A4PTGS1
SCHEMBL30550437 0.72 FBP1 (0.56) FFAR1MEN1KMT2ACYP3A4PTGS1
SCHEMBL31040526 0.71 FFAR1 (0.59) FFAR1MEN1KMT2ACYP3A4PTGS1
SCHEMBL27537967 0.71 MEN1 (0.59) FFAR1MEN1KMT2ACYP3A4PTGS1
SCHEMBL30550305 0.70 FFAR1 (0.75) FFAR1CYP3A4PTGESALOX5KDM4E
SCHEMBL16242748 0.69 CYP3A4 (0.52) FFAR1MEN1KMT2ACYP3A4PTGS1

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
WO-1991009595-A1 ANTI-VIRAL COMPOSITIONS SMITHKLINE BEECHAM CORPORATION (US) 1991-07-11 WO claimed