SCHEMBL9752925

SCHEMBL9752925

COc1cc(OC)c(C(=O)C(C)C)c(OC)c1C(=O)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.44
CYP3A4 P08684 5/20 0.42
MAPK1 P28482 2/20 0.39
MAPT P10636 2/20 0.39
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TPMT P51580 1/20 0.38
PTPN1 P18031 1/20 0.38
ALDH1A1 P00352 2/20 0.37
ALOX12 P18054 1/20 0.37
TUBB1 Q9H4B7 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HTR1A P08908 1/20 0.37
HPGD P15428 1/20 0.37
HTR2C P28335 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL2150320 0.80 USP2 (0.55) FFAR1CYP3A4MAPK1USP2SMN1; SMN2
SCHEMBL7471611 0.79 ALDH1A1 (0.44) CYP3A4MAPTALDH1A1TUBB1HTT
SCHEMBL5720437 0.78 FFAR1 (0.42) FFAR1CYP3A4MAPK1USP2SMN1; SMN2
SCHEMBL11420620 0.78 CYP3A4 (0.67) FFAR1CYP3A4MAPK1MAPTUSP2
SCHEMBL4220772 0.78 FFAR1 (0.52) FFAR1CYP3A4MAPK1MAPTUSP2
SCHEMBL9752827 0.77 CYP3A4 (0.60) CYP3A4MAPK1MAPTUSP2SMN1; SMN2
SCHEMBL8213079 0.76 MAPK1 (0.54) CYP3A4MAPK1MAPTTPMTALDH1A1
SCHEMBL3701446 0.75 HIF1A (0.53) ALDH1A1KDM4E
SCHEMBL9714676 0.74 MAPT (0.49) MAPK1MAPTSMN1; SMN2ALDH1A1TUBB1
SCHEMBL14519857 0.73 CA12 (0.61) CYP3A4MAPK1MAPTSMN1; SMN2ALDH1A1

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