SCHEMBL9752580

SCHEMBL9752580

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.59
PLA2G5 P39877 2/20 0.59
FASN P49327 2/20 0.52
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP3A4 P08684 2/20 0.46
PTGS1 P23219 1/20 0.46
DRD3 P35462 1/20 0.46
FFAR1 O14842 3/20 0.40
MAPT P10636 2/20 0.34
LMNA P02545 2/20 0.34
CA9 Q16790 1/20 0.34
TP53 P04637 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 2/20 0.34
KDM4E B2RXH2 1/20 0.34
UBE2N P61088 1/20 0.34
HSP90AB1 P08238 1/20 0.33
HMGCR P04035 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL10257728 0.83 KMT2A (0.45) PLA2G2APLA2G5FASNMEN1KMT2A
SCHEMBL9752842 0.81 FASN (0.75) PLA2G2APLA2G5FASNMEN1KMT2A
SCHEMBL8707854 0.81 PLA2G2A (0.42) PLA2G2APLA2G5FASNMEN1KMT2A
SCHEMBL11469219 0.81 PLA2G2A (0.42) PLA2G2APLA2G5FASNMEN1KMT2A
SCHEMBL9752901 0.79 FFAR1 (0.66) PLA2G2APLA2G5FASNMEN1KMT2A
SCHEMBL27606797 0.78 CYP3A4 (0.50) PLA2G2APLA2G5FASNMEN1KMT2A
SCHEMBL9752640 0.78 PLA2G2A (0.85) PLA2G2APLA2G5FASNMEN1KMT2A
SCHEMBL9752745 0.76 PLA2G2A (0.96) PLA2G2APLA2G5FASNMEN1KMT2A
SCHEMBL20556449 0.76 CYP3A4 (0.59) PLA2G2APLA2G5FASNMEN1KMT2A
SCHEMBL9752800 0.75 FFAR1 (0.62) PLA2G2APLA2G5FASNFFAR1ALDH1A1

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 disclosed