SCHEMBL9110844

SCHEMBL9110844

CCOc1ccc(C2(c3ccccc3)C=Cc3c(C(=O)OC)c(O)c4ccccc4c3O2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.39
MAPT P10636 6/20 0.39
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 4/20 0.39
GAA P10253 3/20 0.39
HSD17B10 Q99714 2/20 0.39
ALOX15 P16050 1/20 0.39
RAB9A P51151 4/20 0.38
NPC1 O15118 2/20 0.38
MEN1 O00255 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPK1 P28482 2/20 0.36
HTT P42858 1/20 0.36
POLB P06746 2/20 0.35
TP53 P04637 1/20 0.35
ATM Q13315 1/20 0.35
KLKB1 P03952 1/20 0.35

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
SCHEMBL8978509 0.90 L3MBTL1 (0.40) KMT2AMAPTKDM4EALDH1A1HPGD
SCHEMBL29565483 0.90 L3MBTL1 (0.40) KMT2AMAPTKDM4EALDH1A1HPGD
SCHEMBL5644282 0.90 ALDH1A1 (0.39) KMT2AMAPTKDM4EALDH1A1HPGD
SCHEMBL29565080 0.88 ATM (0.41) KMT2AMAPTKDM4EALDH1A1HPGD
SCHEMBL1408896 0.88 ATM (0.41) KMT2AMAPTKDM4EALDH1A1HPGD
SCHEMBL1792470 0.86 MEN1 (0.35) KMT2AMAPTKDM4EALDH1A1HPGD
SCHEMBL29913570 0.85 KDM4E (0.36) KMT2AMAPTKDM4EALDH1A1HPGD
SCHEMBL8978570 0.85 KDM4E (0.36) KMT2AMAPTKDM4EALDH1A1HPGD
SCHEMBL5159693 0.84 KDM4E (0.33) KMT2AMAPTKDM4EALDH1A1HPGD
SCHEMBL29565487 0.84 KDM4E (0.33) KMT2AMAPTKDM4EALDH1A1HPGD

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-1995016215-A1 NOVEL SUBSTITUTED NAPHTHOPYRANS PPG INDUSTRIES, INC. (US) 1995-06-15 WO disclosed