SCHEMBL6565995

SCHEMBL6565995

O=C(O)C(Oc1cccc2ccccc12)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 3/20 0.54
HPGD P15428 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
HSD17B10 Q99714 3/20 0.51
PGR P06401 1/20 0.49
GAA P10253 1/20 0.49
PTGS1 P23219 1/20 0.49
MAPK1 P28482 1/20 0.49
PPARG P37231 5/20 0.48
PPARA Q07869 5/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46
NR4A3 Q92570 1/20 0.46

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
SCHEMBL9352965 0.89 CTNNB1 (0.48) ALDH1A1KDM4EHPGDTDP1HSD17B10
SCHEMBL9345655 0.85 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDTDP1HSD17B10
SCHEMBL10389728 0.85 PPARG (0.49) ALDH1A1KDM4EHPGDTDP1HSD17B10
SCHEMBL9505528 0.84 KDM4E (0.53) ALDH1A1KDM4EHPGDTDP1HSD17B10
SCHEMBL2922977 0.82 PPARG (0.64) ALDH1A1KDM4EHPGDTDP1HSD17B10
SCHEMBL16933412 0.82 PPARG (0.64) ALDH1A1KDM4EHPGDTDP1HSD17B10
SCHEMBL16933413 0.82 PPARG (0.64) ALDH1A1KDM4EHPGDTDP1HSD17B10
SCHEMBL28840585 0.82 KDM4E (0.51) ALDH1A1KDM4EHPGDTDP1HSD17B10
SCHEMBL31376342 0.82 PPARG (0.64) ALDH1A1KDM4EHPGDTDP1HSD17B10
Ethylene Glycol SCHEMBL10599788 0.81 KDM4E (0.54) ALDH1A1KDM4EHPGDTDP1HSD17B10

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
EP-0849634-B1 Radiation sensitive resin composition JSR CORP (JP) 2004-03-31 EP disclosed
US-6322949-B2 SULFONIUM COMPOUND AS PHOTOACID GENERATOR JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 2001-11-27 US disclosed
US-20010014427-A1 Radiation sensitive resin composition JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 2001-08-16 US disclosed
US-6187504-B1 PHOTOSENSITIVE BLEND CONTAINING A NAPHTHALENE SULFONIUM SULFONATE DERIVATIVE PHOTOACID GENERATOR, RESIN HAVING ALKALI INSOLUBLE GROUPS CLEAVABLE BY ACID, AN ALKALI SOLUBLE RESIN AND A SOLUBILITY CONTROL AGENT; POSITIVES, RESOLUTION JSR CORPORATION (JP) 2001-02-13 US disclosed
EP-0849634-A1 Radiation sensitive resin composition JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1998-06-24 EP disclosed