SCHEMBL7056539

SCHEMBL7056539

CC(C)(c1ccc(OC(=O)Oc2ccccc2)cc1)c1ccc(O)c(C(=O)Oc2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.51
HPGD P15428 3/20 0.51
ALOX15 P16050 2/20 0.51
MAPT P10636 8/20 0.47
TDP1 Q9NUW8 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NPSR1 Q6W5P4 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP3A4 P08684 2/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CHRM1 P11229 1/20 0.45
TBXA2R P21731 1/20 0.45
SLC6A2 P23975 1/20 0.45
PDE4A P27815 1/20 0.45
ADRA1A P35348 1/20 0.45
KDR P35968 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45

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
SCHEMBL4390475 0.94 HSD17B10 (0.48) HSD17B10HPGDALOX15MAPTTDP1
SCHEMBL11387862 0.93 HSD17B10 (0.51) HSD17B10HPGDALOX15MAPTTDP1
SCHEMBL4391329 0.92 CA12 (0.46) HSD17B10HPGDALOX15MAPTTDP1
SCHEMBL4395930 0.92 HSD17B10 (0.51) HSD17B10HPGDALOX15MAPTTDP1
SCHEMBL4383880 0.91 MAPT (0.50) HSD17B10HPGDALOX15MAPTTDP1
SCHEMBL4384821 0.91 HSD17B10 (0.53) HSD17B10HPGDALOX15MAPTTDP1
SCHEMBL15827155 0.85 MAPT (0.45) HSD17B10HPGDALOX15MAPTTDP1
SCHEMBL12443402 0.85 HSD17B10 (0.58) HSD17B10HPGDALOX15MAPTTDP1
SCHEMBL4387906 0.84 ESR1 (0.45) HSD17B10HPGDALOX15MAPTTDP1
SCHEMBL13924997 0.83 L3MBTL1 (0.54) MAPTTDP1L3MBTL1NPSR1SMN1; SMN2

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