SCHEMBL8085668

SCHEMBL8085668

O=C(O)c1ccc2ccccc2c1C(=O)OCCOCCO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.45
LDHA P00338 1/20 0.44
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 1/20 0.41
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 3/20 0.39
PTK2B Q14289 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
LMNA P02545 1/20 0.38
CYP2C9 P11712 1/20 0.38
MEN1 O00255 2/20 0.38
CYP1A1 P04798 1/20 0.37
CYP1B1 Q16678 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CNR2 P34972 4/20 0.37

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
SCHEMBL3397194 0.92 WDR5 (0.50) WDR5LDHANR4A1NR4A2NR4A3
SCHEMBL8085666 0.90 WDR5 (0.42) WDR5LDHANR4A1NR4A2NR4A3
Di(Hydroxyethyl)Ether SCHEMBL8085670 0.88 WDR5 (0.51) WDR5LDHANR4A1NR4A2NR4A3
SCHEMBL8735457 0.85 WDR5 (0.51) WDR5LDHANR4A1NR4A2NR4A3
SCHEMBL28392719 0.83 ALDH1A1 (0.54) WDR5LDHANR4A1NR4A2NR4A3
SCHEMBL6279953 0.83 ALDH1A1 (0.45) WDR5LDHAKMT2AALDH1A1LMNA
SCHEMBL8416453 0.82 WDR5 (0.43) WDR5LDHANR4A1NR4A2NR4A3
SCHEMBL27930000 0.81 TSHR (0.56) WDR5LDHAALDH1A1LMNACYP2C9
SCHEMBL8089174 0.81 WDR5 (0.46) WDR5LDHANR4A1NR4A2NR4A3
SCHEMBL14343102 0.81 THRB (0.49) WDR5LDHANR4A1NR4A2NR4A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6100374-A HYDROGENATING IMPURITIES, CONTACTING WITH SULFITE AND/OR HYDROLYZING MITSUI CHEMICALS INC. (JP) 2000-08-08 US disclosed
EP-0926124-A1 METHOD FOR PURIFYING CRUDE NAPHTHALENEDICARBOXYLIC ACID AND PROCESS FOR PREPARING POLYETHYLENE NAPHTHALATE Mitsui Chemicals, Inc. (JP) 1999-06-30 EP disclosed
US-5736621-A CONDENSATION POLYMERIZATION OF DICARBOXYLIC ACID-DIOL OLIGOMER HEATED IN ALIPHATIC LIQUID HEAT EXCHANGE MEDIUM CONTAINING POLYMERIZATION CATALYST AND DISPERSION STABILIZER HOECHST AKTIENGESELLSCHAFT (DE) 1998-04-07 US disclosed