SCHEMBL7998780

SCHEMBL7998780

O=C1C(=O)c2c(ccc3c2ccc2ccccc23)C(O)=C1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 1/20 0.54
ALDH1A1 P00352 3/20 0.54
CYP1A2 P05177 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
USP2 O75604 1/20 0.54
LMNA P02545 1/20 0.54
TP53 P04637 1/20 0.54
CYP2D6 P10635 1/20 0.54
HPGD P15428 1/20 0.54
ALOX12 P18054 1/20 0.54
MAPK1 P28482 1/20 0.54
HIF1A Q16665 1/20 0.54
HPRT1 P00492 3/20 0.47
PAX8 Q06710 1/20 0.44
TDP1 Q9NUW8 2/20 0.42
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 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
SCHEMBL7912417 0.81 DNMT1 (0.82) DNMT1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL19230419 0.78 DNMT1 (0.83) DNMT1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL16144677 0.76 DNMT1 (0.80) DNMT1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL5193172 0.75 DNMT1 (0.53) DNMT1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL28712105 0.74 APAF1 (0.46) DNMT1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL7122517 0.72 DNMT1 (0.73) DNMT1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL25253593 0.71 HPRT1 (0.58) DNMT1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL1055754 0.71 DNMT1 (1.00) DNMT1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL31174009 0.71 DNMT1 (1.00) DNMT1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL2175783 0.71 DNMT1 (0.92) DNMT1ALDH1A1CYP1A2CYP2C9CYP2C19

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
US-6294380-B1 Liver cell clones for use in extracorporeal liver-assist device JMS CO., LTD. (JP) 2001-09-25 US disclosed
EP-1063289-A1 Liver cell clones for artifical liver and extracorporeal liver assist device JMS Co., Ltd. (JP) 2000-12-27 EP disclosed