SCHEMBL8089174

SCHEMBL8089174

O=C(OCCO)c1ccc2ccccc2c1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.46
LDHA P00338 1/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
GLA P06280 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CDC25B P30305 2/20 0.43
HRH3 Q9Y5N1 2/20 0.43
DRD3 P35462 1/20 0.43
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CNR1 P21554 2/20 0.40

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
SCHEMBL8085666 0.92 WDR5 (0.42) WDR5LDHAALDH1A1KDM4EKMT2A
SCHEMBL6279953 0.91 ALDH1A1 (0.45) WDR5LDHAALDH1A1KDM4EKMT2A
SCHEMBL3397194 0.88 WDR5 (0.50) WDR5LDHAALDH1A1KDM4EKMT2A
SCHEMBL7536645 0.87 WDR5 (0.43) WDR5LDHAALDH1A1KDM4EKMT2A
SCHEMBL8643540 0.85 TSHR (0.59) ALDH1A1KDM4EHSD17B10CDC25BHRH3
SCHEMBL18261813 0.84 CDC25B (0.62) WDR5LDHAALDH1A1KDM4EKMT2A
Di(Hydroxyethyl)Ether SCHEMBL8085670 0.84 WDR5 (0.51) WDR5LDHAALDH1A1KDM4EKMT2A
SCHEMBL27739482 0.82 ALDH1A1 (0.61) ALDH1A1KDM4EHSD17B10CDC25BCNR1
SCHEMBL7629374 0.82 CNR2 (0.49) ALDH1A1KDM4EHSD17B10HRH3DRD3
SCHEMBL7631724 0.82 ALDH1A1 (0.58) WDR5LDHAALDH1A1KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0451179-B1 COMPOSITE POLYESTER FILMS SUITABLE IN PARTICULAR AS SUPPORTS FOR MAGNETIC RECORDING MATERIALS, AND MAGNETIC RECORDING MATERIALS THUS PRODUCED RHONE POULENC FILMS (FR) 1996-02-07 EP claimed
US-5476707-A Oriented polyester film comprising polyester substrate having magnetic coating on one side, abrasion resistant coating on other obtained by polymerizing acrylic monomer in presence of water-dispersible polyester containing sulfonyloxy groups RHONE-POULENC FILMS (FR) 1995-12-19 US claimed
EP-0419615-B1 COMPOSITE POLYESTER FILMS AS FINAL COATING SUPPORTS RHONE-POULENC FILMS (FR) 1993-09-29 EP claimed
US-5128206-A Magnetic recording supports RHONE-POULENC CHIMIE (FR) 1992-07-07 US claimed
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