SCHEMBL4871685

SCHEMBL4871685

CCCc1ccc2c(C(=O)O)c(CCC)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 2/20 0.46
SOX18 P35713 1/20 0.45
PTPN1 P18031 1/20 0.43
PTPN11 Q06124 1/20 0.43
PDE10A Q9Y233 1/20 0.41
CA12 O43570 1/20 0.40
LDHA P00338 2/20 0.40
LDHB P07195 2/20 0.40
MCL1 Q07820 1/20 0.39
MTNR1A P48039 1/20 0.39
CYP1A2 P05177 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
EP300 Q09472 1/20 0.38

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
SCHEMBL4873999 0.88 KAT8 (0.45) SOX18MCL1CYP1A2KDM4EMEN1
SCHEMBL7597470 0.87 KAT8 (0.50) MCL1ALDH1A1EP300KAT5KAT8
SCHEMBL7594958 0.86 KAT8 (0.52) MCL1MEN1ALDH1A1KMT2AEP300
SCHEMBL7600186 0.86 KAT8 (0.52) MCL1MEN1ALDH1A1KMT2AEP300
SCHEMBL7597493 0.86 KAT8 (0.52) MCL1MEN1ALDH1A1KMT2AEP300
SCHEMBL7599568 0.83 AKR1C3 (0.46) SOX18CA12CYP1A2KDM4EMEN1
SCHEMBL1696920 0.80 KDM4E (0.50) NCEH1PTPN1PTPN11PDE10ACA12
Ammonia Solution, Strong SCHEMBL7717870 0.78 KDM4E (0.49) NCEH1PTPN1PTPN11PDE10ACA12
Ammonia Solution, Strong SCHEMBL7717868 0.78 KDM4E (0.49) NCEH1PTPN1PTPN11PDE10ACA12
SCHEMBL9227768 0.77 ALDH1A1 (0.43) NCEH1PDE10AMCL1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6031065-A Polyester copolymers from naphthalate and related esters WELLMAN, INC. (US) 2000-02-29 US claimed
EP-0933386-A2 Polyester copolymers from naphthalate and related esters Wellman Inc (US) 1999-08-04 EP claimed
US-7371455-B2 Laminates and packaging containers KYDO PRINTING CO., LTD. (JP) 2008-05-13 US disclosed
US-20060204695-A1 Laminates and packaging containers KYODO PRINTING CO., LTD. (JP) 2006-09-14 US disclosed
EP-0698631-B1 Ester copolymer resin, alloy thereof and packaging material using the same NIPPON KOKAN KK (JP) 2002-12-04 EP disclosed
US-5804267-A A BLEND OF POLYCARBONATE AND POLYESTER COPOLYMER; PACKAGING CONTAINER NKK CORPORATION (JP) 1998-09-08 US disclosed
US-5750219-A Ester copolymer resin, alloy thereof and packaging material using the same NKK CORPORATION (JP) 1998-05-12 US disclosed
EP-0698631-A2 Ester copolymer resin, alloy thereof and packaging material using the same NKK CORPORATION (JP) 1996-02-28 EP disclosed