SCHEMBL7059062

SCHEMBL7059062

COC(=O)c1cccc(OC(=O)Oc2ccccc2)c1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.51
KDM4E B2RXH2 6/20 0.50
HSD17B10 Q99714 6/20 0.50
HPGD P15428 4/20 0.50
TSHR P16473 3/20 0.47
LMNA P02545 1/20 0.47
ALOX15 P16050 2/20 0.45
CXCR2 P25025 1/20 0.45
ALDH1A1 P00352 4/20 0.44
CYP1A2 P05177 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
MAPT P10636 4/20 0.43
ATM Q13315 2/20 0.43
GAA P10253 2/20 0.43
GLA P06280 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
CFTR P13569 1/20 0.42
PRSS1 P07477 1/20 0.42
ACR P10323 1/20 0.42

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
SCHEMBL7057524 0.89 HSD17B10 (0.57) SLC6A3KDM4EHSD17B10HPGDTSHR
SCHEMBL1282392 0.88 SLC6A3 (0.66) SLC6A3KDM4EHSD17B10HPGDTSHR
SCHEMBL4413561 0.83 HSD17B10 (0.55) SLC6A3KDM4EHSD17B10TSHRLMNA
SCHEMBL1058373 0.82 SLC6A3 (0.77) SLC6A3HSD17B10TSHRLMNAALOX15
SCHEMBL5704253 0.82 SLC6A3 (0.48) SLC6A3KDM4EHSD17B10HPGDTSHR
Methyl Salicylate SCHEMBL1282391 0.81 LMNA (0.73) SLC6A3KDM4EHSD17B10HPGDTSHR
SCHEMBL14689568 0.80 HSD17B10 (0.57) KDM4EHSD17B10HPGDTSHRLMNA
SCHEMBL29444234 0.80 HSD17B10 (0.57) KDM4EHSD17B10HPGDTSHRLMNA
SCHEMBL4395970 0.79 TSHR (0.56) SLC6A3KDM4EHSD17B10HPGDTSHR
SCHEMBL29551673 0.79 SLC6A3 (0.71) SLC6A3KDM4EHSD17B10HPGDTSHR

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
EP-1016648-B1 PROCESS FOR THE PREPARATION OF AROMATIC CARBONATES ASAHI CHEMICAL IND (JP) 2003-05-14 EP disclosed
US-6262210-B1 TRANSESTERIFYING DIALKYL CARBONATE, ALKYL ARYL CARBONATE OR MIXTURE WITH AROMATIC MONOHYDROXY COMPOUND IN PRESENCE OF METAL CONTAINING CATALYST TO OBTAIN HIGH BOILING POINT REACTION MIXTURE CONTAINING AROMATIC CARBONATE ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 2001-07-17 US disclosed
EP-1016648-A1 PROCESS FOR THE PREPARATION OF AROMATIC CARBONATES Asahi Kasei Kogyo Kabushiki Kaisha (JP) 2000-07-05 EP disclosed