SCHEMBL9752827

SCHEMBL9752827

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

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.60
MAPK1 P28482 2/20 0.55
USP2 O75604 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
LMNA P02545 1/20 0.47
HTT P42858 2/20 0.45
KMT2A Q03164 1/20 0.45
GAA P10253 2/20 0.44
TNFSF11 O14788 1/20 0.44
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.42
TPMT P51580 1/20 0.41
KCNA3 P22001 2/20 0.41

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
SCHEMBL4608589 0.91 CYP3A4 (0.56) CYP3A4MAPK1USP2SMN1; SMN2LMNA
SCHEMBL10498389 0.86 CYP3A4 (0.55) CYP3A4MAPK1USP2SMN1; SMN2LMNA
SCHEMBL679428 0.84 CYP3A4 (0.68) CYP3A4MAPK1USP2SMN1; SMN2LMNA
SCHEMBL9752762 0.82 CYP3A4 (0.78) CYP3A4MAPK1USP2SMN1; SMN2LMNA
SCHEMBL20867726 0.82 CYP3A4 (0.47) CYP3A4MAPK1USP2SMN1; SMN2LMNA
SCHEMBL10497869 0.80 CA9 (0.51) CYP3A4MAPK1USP2SMN1; SMN2LMNA
SCHEMBL27842593 0.79 CYP3A4 (0.53) CYP3A4MAPK1USP2SMN1; SMN2LMNA
SCHEMBL5339165 0.79 POLB (0.47) CYP3A4MAPK1USP2SMN1; SMN2KMT2A
SCHEMBL6895045 0.78 TNFSF11 (0.55) CYP3A4MAPK1USP2SMN1; SMN2HTT
SCHEMBL24488868 0.78 GAA (0.44) CYP3A4MAPK1USP2SMN1; SMN2LMNA

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