SCHEMBL8575394

SCHEMBL8575394

O=C(Cc1cccc(Cl)c1)c1c(O)cc(O)cc1O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.69
HPGD P15428 4/20 0.69
MEN1 O00255 4/20 0.69
KMT2A Q03164 4/20 0.69
PIK3CA P42336 2/20 0.69
CYP3A4 P08684 2/20 0.69
MAPK1 P28482 2/20 0.69
LMNA P02545 3/20 0.55
GAA P10253 5/20 0.52
SLC5A1 P13866 2/20 0.51
SLC5A2 P31639 2/20 0.51
ALDH1A1 P00352 3/20 0.51
HSD17B10 Q99714 2/20 0.51
USP2 O75604 1/20 0.51
ALOX15 P16050 1/20 0.51
HTT P42858 1/20 0.51
RAB9A P51151 1/20 0.51
PKM P14618 1/20 0.50
CTBP2 P56545 1/20 0.50
HTR3E A5X5Y0 1/20 0.47

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
SCHEMBL27697248 0.85 MAPT (0.60) MAPTHPGDMEN1KMT2APIK3CA
SCHEMBL454742 0.84 SLC5A1 (0.69) MAPTHPGDMEN1KMT2APIK3CA
SCHEMBL145265 0.81 LMNA (0.78) MAPTHPGDMEN1KMT2APIK3CA
SCHEMBL8578359 0.81 MAPT (0.55) MAPTHPGDMEN1KMT2APIK3CA
SCHEMBL15869780 0.78 L3MBTL1 (0.65) MAPTHPGDMEN1KMT2APIK3CA
SCHEMBL10562315 0.77 PIK3CA (0.70) MAPTHPGDMEN1KMT2APIK3CA
SCHEMBL10563951 0.76 PIK3CA (1.00) MAPTHPGDMEN1KMT2APIK3CA
SCHEMBL24841623 0.76 CYP19A1 (0.70) MAPTHPGDMEN1KMT2APIK3CA
SCHEMBL5036945 0.75 MAPT (0.77) MAPTHPGDMEN1KMT2APIK3CA
SCHEMBL11172110 0.75 CTBP2 (0.62) HPGDMEN1KMT2APIK3CACYP3A4

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-1998017662-A1 PHENYL-SUBSTITUTED BICYCLIC HETEROCYCLYL DERIVATIVES AND THEIR USE NOVARTIS AG (CH) 1998-04-30 WO disclosed