SCHEMBL8505652

SCHEMBL8505652

O=C(O)c1ccc(C(=O)Oc2ccc(OC(=O)c3ccccc3O)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.72
HSD17B10 Q99714 3/20 0.72
ALOX15 P16050 1/20 0.72
KDM4E B2RXH2 5/20 0.57
ALDH1A1 P00352 4/20 0.57
PARP10 Q53GL7 1/20 0.54
KMT2A Q03164 7/20 0.53
MEN1 O00255 4/20 0.53
CTDSP1 Q9GZU7 1/20 0.53
NSD2 O96028 1/20 0.50
MAPT P10636 7/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 2/20 0.49
TP53 P04637 1/20 0.49
CYP3A4 P08684 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
CHRM1 P11229 1/20 0.49
TBXA2R P21731 1/20 0.49
SLC6A2 P23975 1/20 0.49
PDE4A P27815 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
SCHEMBL416428 0.97 HPGD (0.77) HPGDHSD17B10ALOX15KDM4EALDH1A1
SCHEMBL7769806 0.93 HPGD (0.83) HPGDHSD17B10ALOX15KDM4EALDH1A1
Phenyl Salicylate SCHEMBL28206866 0.90 HPGD (0.83) HPGDHSD17B10ALOX15KDM4EALDH1A1
SCHEMBL11267684 0.86 HPGD (0.58) HPGDHSD17B10ALOX15KDM4EALDH1A1
SCHEMBL7614991 0.86 HPGD (0.88) HPGDHSD17B10ALOX15KDM4EALDH1A1
SCHEMBL563932 0.85 HPGD (0.74) HPGDHSD17B10ALOX15KDM4EALDH1A1
Phenyl Salicylate SCHEMBL2519840 0.84 HPGD (1.00) HPGDHSD17B10ALOX15KDM4EALDH1A1
Phenyl Salicylate SCHEMBL29625250 0.84 HPGD (1.00) HPGDHSD17B10ALOX15KDM4EALDH1A1
SCHEMBL622771 0.84 PARP10 (0.72) HSD17B10ALDH1A1PARP10KMT2AMEN1
Phenyl Salicylate SCHEMBL24326 0.84 HPGD (1.00) HPGDHSD17B10ALOX15KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5977292-A Process for the preparation of polyesters in carbon dioxide THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1999-11-02 US disclosed
US-5945477-A Process for the preparation of polyester in carbon dioxide THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1999-08-31 US disclosed
WO-1996039456-A1 PROCESS FOR THE PREPARATION OF POLYESTER IN CARBON DIOXIDE THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1996-12-12 WO disclosed