SCHEMBL8779173

SCHEMBL8779173

COC(=O)Oc1ccc(-c2ccc(OC(=O)OC)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
HSD17B10 Q99714 3/20 0.48
HTT P42858 2/20 0.48
LMNA P02545 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP14 P50281 1/20 0.44
ESR2 Q92731 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RAB9A P51151 1/20 0.43
ELANE P08246 2/20 0.42
CYP1A2 P05177 1/20 0.42
GAA P10253 1/20 0.42
CYP2C9 P11712 1/20 0.42
PKM P14618 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL676909 0.93 KMT2A (0.58) KMT2AMEN1HSD17B10HTTLMNA
SCHEMBL2058536 0.92 GAA (0.55) KMT2AMEN1HSD17B10HTTLMNA
SCHEMBL7766958 0.92 ESR2 (0.57) KMT2AMEN1HSD17B10HTTLMNA
SCHEMBL14205190 0.92 LMNA (0.55) KMT2AMEN1HSD17B10HTTLMNA
SCHEMBL28530767 0.90 KMT2A (0.49) KMT2AMEN1SMN1; SMN2ELANEHPGD
SCHEMBL5169447 0.90 TDP1 (0.45) KMT2AMEN1HSD17B10HTTLMNA
SCHEMBL6228012 0.90 SLC6A3 (0.47) KMT2AMEN1HSD17B10HTTLMNA
SCHEMBL28613359 0.89 HSD17B10 (0.52) KMT2AMEN1HSD17B10HTTLMNA
SCHEMBL7696624 0.88 HSD17B10 (0.68) KMT2AHSD17B10LMNAGAA
SCHEMBL22065479 0.87 GAA (0.50) KMT2AMEN1HSD17B10LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170256819-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND ENERGY STORAGE DEVICE USING SAME UBE INDUSTRIES, LTD. (JP) 2017-09-07 US disclosed
US-20170256819-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND ENERGY STORAGE DEVICE USING SAME UBE INDUSTRIES, LTD. (JP) 2017-09-07 US disclosed
US-20170256819-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND ENERGY STORAGE DEVICE USING SAME UBE INDUSTRIES, LTD. (JP) 2017-09-07 US disclosed
EP-0787717-A1 Substituted diaryl dicarboxylic acid diguanidines, process for their preparation, their use as inhibitors of the Na+/H+ exchange as well as medicament or diagnostic agent containing them HOECHST AKTIENGESELLSCHAFT (DE) 1997-08-06 EP disclosed
EP-0341514-A2 Process for the preparation of asymmetrical biaryle compounds BAYER AG (DE) 1989-11-15 EP disclosed
EP-0110205-B1 COLOURED LIQUID CRYSTAL MIXTURES CONTAINING PHENYL ETHANES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1987-12-09 EP disclosed
EP-0110205-A2 Coloured liquid crystal mixtures containing phenyl ethanes F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-06-13 EP disclosed