SCHEMBL8069670

SCHEMBL8069670

CC(=O)CC(=O)C(=O)Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.46
ELANE P08246 3/20 0.45
GAA P10253 2/20 0.44
HSP90AA1 P07900 1/20 0.44
MTNR1A P48039 5/20 0.43
MTNR1B P49286 5/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
CYP1A2 P05177 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL11569510 0.84 ALOX15 (0.47) MAPTALDH1A1ELANEGAAHSP90AA1
SCHEMBL237447 0.80 CES2 (0.50) MAPTALDH1A1ELANEL3MBTL1HSD17B10
SCHEMBL329955 0.80 ALDH1A1 (0.49) MAPTALDH1A1ELANEGAAHSP90AA1
SCHEMBL4065601 0.80 TDP1 (0.42) MAPTELANEL3MBTL1HSD17B10ATM
Diphenyl Ethanedioat SCHEMBL27942895 0.79 ELANE (0.53) MAPTALDH1A1ELANEGAAHSP90AA1
Water SCHEMBL27685948 0.78 TDP1 (0.41) MAPTELANEL3MBTL1CYP1A2HSD17B10
SCHEMBL4092894 0.78 PRSS1 (0.39) L3MBTL1HSD17B10ATMTDP1
SCHEMBL58882 0.78 TDP1 (0.44) MAPTALDH1A1ELANEL3MBTL1HSD17B10
SCHEMBL9395495 0.77 ELANE (0.52) MAPTALDH1A1ELANEGAAHSP90AA1
SCHEMBL43236 0.77 ELANE (0.52) MAPTALDH1A1ELANEGAAHSP90AA1

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-0620857-B1 SYNTHESIS OF HOMOCHIRAL 2-HYDROXY ACIDS GENZYME LTD (GB) 2000-08-02 EP disclosed
US-5686275-A LACTATE DEHYDROGENASE GENZYME LTD. (GB) 1997-11-11 US disclosed
EP-0620857-A1 SYNTHESIS OF HOMOCHIRAL 2-HYDROXY ACIDS Genzyme Limited (GB) 1994-10-26 EP disclosed
WO-1993013215-A1 SYNTHESIS OF HOMOCHIRAL 2-HYDROXY ACIDS GENZYME LIMITED (GB) 1993-07-08 WO disclosed