SCHEMBL8765818

SCHEMBL8765818

O=C(c1ccc2ccccc2c1)C(O)OC(O)C(=O)c1ccc2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.57
CES1 P23141 1/20 0.57
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 2/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 2/20 0.49
MAPT P10636 2/20 0.49
KMT2A Q03164 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
EGFR P00533 1/20 0.49
TP53 P04637 1/20 0.49
CYP3A4 P08684 1/20 0.49
PKM P14618 1/20 0.49
ALOX15 P16050 1/20 0.49
ALOX12 P18054 1/20 0.49
JAK1 P23458 1/20 0.49
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL1163945 0.82 CES2 (0.63) CES2CES1KDM4EALDH1A1GAA
SCHEMBL2599186 0.79 CES2 (0.59) CES2CES1KDM4EALDH1A1GAA
SCHEMBL15007511 0.79 CES2 (0.59) CES2CES1KDM4EALDH1A1GAA
SCHEMBL12699944 0.77 CES2 (0.67) CES2CES1KDM4EALDH1A1GAA
SCHEMBL9038755 0.77 CES2 (0.61) CES2CES1KDM4EALDH1A1GAA
SCHEMBL759389 0.77 CES2 (0.61) CES2CES1KDM4EALDH1A1GAA
SCHEMBL28569074 0.77 CES2 (0.61) CES2CES1KDM4EALDH1A1GAA
SCHEMBL29589515 0.76 KDM4E (0.55) CES2CES1KDM4EALDH1A1GAA
SCHEMBL28563385 0.75 KDM4E (0.54) CES2CES1KDM4EALDH1A1GAA
SCHEMBL10848098 0.75 CES2 (0.53) CES2CES1KDM4EALDH1A1GAA

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-0583485-B1 ETHANOLAMINE DERIVATIVES HAVING SYMPATHOMIMETIC AND ANTI-POLLAKIURIA ACTIVITIES FUJISAWA PHARMACEUTICAL CO (JP) 1997-08-13 EP disclosed
US-5387710-A Ethanolamine derivatives having sympathomimetic and anti-pollakiuria activities FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-02-07 US disclosed
EP-0583485-A1 ETHANOLAMINE DERIVATIVES HAVING SYMPATHOMIMETIC AND ANTI-POLLAKIURIA ACTIVITIES. FUJISAWA PHARMACEUTICAL CO (JP) 1994-02-23 EP disclosed
WO-1993015041-A1 ETHANOLAMINE DERIVATIVES HAVING SYMPATHOMIMETIC AND ANTI-POLLAKIURIA ACTIVITIES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-08-05 WO disclosed