SCHEMBL4871678

SCHEMBL4871678

CCCc1ccc2c(C(=O)O)c(CCC)c(C(=O)O)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LDHA P00338 3/20 0.44
LDHB P07195 3/20 0.44
MCL1 Q07820 1/20 0.43
KAT8 Q9H7Z6 2/20 0.40
PPARA Q07869 2/20 0.40
METAP2 P50579 1/20 0.40
SORT1 Q99523 1/20 0.40
KDM4E B2RXH2 2/20 0.40
PDE10A Q9Y233 1/20 0.40
NCEH1 Q6PIU2 2/20 0.39
PPARG P37231 1/20 0.38
ME2 P23368 1/20 0.36
ME1 P48163 1/20 0.36
ME3 Q16798 1/20 0.36
DHODH Q02127 1/20 0.36
PKM P14618 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
LCK P06239 1/20 0.36

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
SCHEMBL4873995 0.89 KAT8 (0.48) KAT8PPARAMETAP2KDM4EPPARG
SCHEMBL7597467 0.88 KAT8 (0.53) KAT8PPARAPPARGDHODH
SCHEMBL7594955 0.87 KAT8 (0.56) KAT8PPARAPPARGDHODH
SCHEMBL7597489 0.87 KAT8 (0.56) KAT8PPARAPPARGDHODH
SCHEMBL7600185 0.87 KAT8 (0.56) KAT8PPARAPPARGDHODH
SCHEMBL5348023 0.84 ACMSD (0.40) KDM4EME2ME1ME3DHODH
SCHEMBL7599562 0.82 ALDH1A1 (0.42) METAP2KDM4EME2ME1ME3
SCHEMBL8747612 0.79 GPR35 (0.58) LDHALDHBMCL1KAT8PPARA
SCHEMBL4871685 0.77 NCEH1 (0.46) LDHALDHBMCL1KAT8METAP2
SCHEMBL14989173 0.76 LDHA (0.49) LDHALDHBMCL1KAT8PPARA

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