SCHEMBL9565485

SCHEMBL9565485

Cc1cc(O)c(C(C)(C)C)cc1CCC(=O)OCCOCCOCCOC(=O)CCc1cc(C(C)(C)C)c(O)cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
ALOX15 P16050 4/20 0.40
TP53 P04637 3/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP3A4 P08684 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HIF1A Q16665 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
APP P05067 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
MAPT P10636 1/20 0.38
ATP2A2 P16615 1/20 0.38
ATP2A3 Q93084 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL18348586 0.89 GAA (0.41) GAATDP1APPCYP1A2CYP2C9
SCHEMBL7240605 0.88 GAA (0.41) GAAALOX15TP53ALDH1A1SMN1; SMN2
SCHEMBL11704516 0.87 DGKA (0.43) GAAALDH1A1
SCHEMBL11703928 0.87 DGKA (0.43) GAAALDH1A1
SCHEMBL10774745 0.86 GAA (0.43) GAAALOX15TP53ALDH1A1SMN1; SMN2
SCHEMBL29485570 0.85 GAA (0.41) GAAALOX15ALDH1A1SMN1; SMN2TDP1
SCHEMBL574707 0.85 GAA (0.41) GAAALOX15ALDH1A1SMN1; SMN2TDP1
Triethylene Glycol SCHEMBL9565487 0.83 NPSR1 (0.50) GAAALOX15TP53ALDH1A1SMN1; SMN2
SCHEMBL11581462 0.82 GAA (0.36) GAAALDH1A1SMN1; SMN2HIF1AAPP
SCHEMBL10503380 0.81 NPSR1 (0.62) GAAALOX15TP53ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5246735-A Fraying resistance, belts, polyurethane film by impregnating fibers with hydroxy-terminated rubber and an isocyanate-terminated rubber TEIJIN LIMITED (JP) 1993-09-21 US claimed
EP-0537462-A1 Process for producing rubber-reinforcing aromatic polyamide multifilament yarn TEIJIN LIMITED (JP) 1993-04-21 EP claimed
US-5246735-A Fraying resistance, belts, polyurethane film by impregnating fibers with hydroxy-terminated rubber and an isocyanate-terminated rubber TEIJIN LIMITED (JP) 1993-09-21 US disclosed
EP-0537462-A1 Process for producing rubber-reinforcing aromatic polyamide multifilament yarn TEIJIN LIMITED (JP) 1993-04-21 EP disclosed