SCHEMBL9505528

SCHEMBL9505528

O=C(O)C(O)Oc1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 3/20 0.53
HPGD P15428 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
HSD17B10 Q99714 3/20 0.50
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
PGR P06401 1/20 0.47
GAA P10253 1/20 0.47
PTGS1 P23219 1/20 0.47
MAPK1 P28482 1/20 0.47
PPARG P37231 5/20 0.47
PPARA Q07869 5/20 0.47
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NR2E1 Q9Y466 2/20 0.45
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44

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
SCHEMBL6565995 0.84 ALDH1A1 (0.54) KDM4EALDH1A1HPGDTDP1HSD17B10
SCHEMBL9345655 0.84 ALDH1A1 (0.54) KDM4EALDH1A1HPGDTDP1HSD17B10
SCHEMBL8477888 0.81 ALDH1A1 (0.51) KDM4EALDH1A1HPGDTDP1HSD17B10
SCHEMBL16933413 0.81 PPARG (0.64) KDM4EALDH1A1HPGDTDP1HSD17B10
SCHEMBL16933412 0.81 PPARG (0.64) KDM4EALDH1A1HPGDTDP1HSD17B10
SCHEMBL28840585 0.81 KDM4E (0.51) KDM4EALDH1A1HPGDTDP1HSD17B10
SCHEMBL31376342 0.81 PPARG (0.64) KDM4EALDH1A1HPGDTDP1HSD17B10
SCHEMBL2922977 0.81 PPARG (0.64) KDM4EALDH1A1HPGDTDP1HSD17B10
Ethylene Glycol SCHEMBL10599788 0.79 KDM4E (0.54) KDM4EALDH1A1HPGDTDP1HSD17B10
SCHEMBL8935882 0.77 PPARG (0.67) KDM4EALDH1A1HPGDTDP1HSD17B10

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
EP-0408644-B1 PROCESS FOR PREPARATION OF AN OXYACETIC ACID/HYDROXYETHYL ETHER COMPOUND EASTMAN KODAK COMPANY (US) 1993-07-28 EP disclosed
EP-0408644-A1 PROCESS FOR PREPARATION OF AN OXYACETIC ACID/HYDROXYETHYL ETHER COMPOUND. EASTMAN KODAK CO (US) 1991-01-23 EP disclosed
WO-1989009761-A1 PROCESS FOR PREPARATION OF AN OXYACETIC ACID/HYDROXYETHYL ETHER COMPOUND EASTMAN KODAK COMPANY (US) 1989-10-19 WO disclosed
US-4791224-A Process for preparation of an oxyacetic acid/hydroxyethyl ether compound EASTMAN KODAK COMPANY (US) 1988-12-13 US disclosed