SCHEMBL9339191

SCHEMBL9339191

COc1cc(O)c(C(=O)c2ccccc2)c(OC)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.63
MAPK1 P28482 3/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
USP2 O75604 1/20 0.63
MAPT P10636 5/20 0.62
HSD17B10 Q99714 3/20 0.62
KMT2A Q03164 2/20 0.62
TP53 P04637 1/20 0.62
ATM Q13315 1/20 0.62
CYP2C19 P33261 3/20 0.60
HPGD P15428 3/20 0.60
CYP2D6 P10635 2/20 0.60
LMNA P02545 2/20 0.60
ALDH1A1 P00352 2/20 0.60
CYP1A2 P05177 1/20 0.60
PGR P06401 1/20 0.60
SLC6A2 P23975 1/20 0.60
PDE4A P27815 1/20 0.60
HRH1 P35367 1/20 0.60
HTT P42858 1/20 0.60

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
SCHEMBL30384772 1.00 CYP3A4 (0.63) CYP3A4MAPK1SMN1; SMN2USP2MAPT
SCHEMBL1456378 0.90 HPGD (0.68) CYP3A4MAPK1SMN1; SMN2USP2MAPT
SCHEMBL2288468 0.90 MAPT (0.54) CYP3A4MAPK1SMN1; SMN2USP2MAPT
SCHEMBL22658267 0.89 SYNJ2 (0.69) CYP3A4MAPK1SMN1; SMN2USP2MAPT
SCHEMBL28370780 0.86 CYP3A4 (0.76) CYP3A4MAPK1SMN1; SMN2USP2MAPT
Flavokawain B SCHEMBL25278514 0.86 MAPT (0.88) CYP3A4MAPK1USP2MAPTHSD17B10
SCHEMBL1614609 0.84 CYP3A4 (0.73) CYP3A4MAPK1SMN1; SMN2USP2MAPT
SCHEMBL7336934 0.84 CYP3A4 (0.59) CYP3A4MAPK1SMN1; SMN2USP2MAPT
SCHEMBL15532566 0.84 HPGD (0.60) CYP3A4MAPK1SMN1; SMN2USP2MAPT
SCHEMBL28689599 0.84 CYP3A4 (0.61) CYP3A4MAPK1SMN1; SMN2USP2MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0442068-B1 Benzophenone derivatives and polymers containing phenolic hydroxyl groups BAYER AG (DE) 1994-06-08 EP disclosed
EP-0442068-A2 Benzophenone derivatives and polymers containing phenolic hydroxyl groups BAYER AG (DE) 1991-08-21 EP disclosed