SCHEMBL11201167

SCHEMBL11201167

O=C(O)COC(=O)c1ccc(C(=O)OCC(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.55
ALDH1A1 P00352 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
GAA P10253 1/20 0.55
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
HPGD P15428 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
LMNA P02545 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
MAPK1 P28482 2/20 0.50
MAPT P10636 1/20 0.48
KMT2A Q03164 2/20 0.48
HIF1A Q16665 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A3 Q01959 1/20 0.48
MEN1 O00255 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48

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
SCHEMBL11201170 0.93 MAPT (0.53) KDM4EALDH1A1L3MBTL1GAANPC1
SCHEMBL831507 0.91 LMNA (0.62) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL582352 0.91 TDP1 (0.63) KDM4EALDH1A1L3MBTL1GAANPC1
SCHEMBL20656251 0.89 RAB9A (0.69) KDM4EALDH1A1L3MBTL1GAANPC1
SCHEMBL9127865 0.89 LMNA (0.55) KDM4EALDH1A1L3MBTL1GAANPC1
SCHEMBL28819015 0.89 TDP1 (0.61) KDM4EALDH1A1L3MBTL1GAANPC1
Potassium SCHEMBL31360984 0.89 TDP1 (0.61) KDM4EALDH1A1L3MBTL1GAANPC1
SCHEMBL27502116 0.89 TDP1 (0.61) KDM4EALDH1A1L3MBTL1GAANPC1
SCHEMBL3505808 0.86 ESR2 (0.66) ALDH1A1L3MBTL1GAANPC1RAB9A
SCHEMBL7753269 0.84 NPC1 (0.67) KDM4EALDH1A1L3MBTL1GAANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117343295-A Preparation method of biodegradable copolyester based on terephthalic acid and ethylene glycol ester 浙江恒逸石化研究院有限公司 2024-01-05 CN disclosed
CN-101679633-A Resin composition for forming heat-cured film NISSAN CHEMICAL IND LTD 2010-03-24 CN disclosed
US-4390683-A Stretched film structure of the poly-1,3-phenylene terephthalate type MITSUI PETROCHEMICAL INDUSTRIES LTD. (JP) 1983-06-28 US disclosed
US-4137360-A POLYURETHANE-POLYSILOXANE COPOLYMER BAYER AKTIENGESELLSCHAFT (DE) 1979-01-30 US disclosed
US-4086193-A POLYURETHANE COAGULATED BAYER AKTIENGESELLSCHAFT (DT) 1978-04-25 US disclosed