SCHEMBL7608864

SCHEMBL7608864

O=C(O)C(=O)c1ccc(Cl)c(C(=O)C(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
ALDH1A1 P00352 4/20 0.45
TP53 P04637 1/20 0.45
CPT1B Q92523 1/20 0.45
HTT P42858 1/20 0.41
GFER P55789 1/20 0.41
SRD5A2 P31213 1/20 0.41
ERCC5 P28715 1/20 0.41
FEN1 P39748 1/20 0.41
CES2 O00748 4/20 0.40
CES1 P23141 4/20 0.40
HDAC8 Q9BY41 1/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 1/20 0.38
PTPRC P08575 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
SCHEMBL906513 0.83 TSHR (0.68) TSHRCPT1BSRD5A2MAPTKDM4E
SCHEMBL7845572 0.78 TAS1R3 (0.49) TSHRALDH1A1CPT1BHTTGFER
SCHEMBL27299072 0.78 ALDH1A1 (0.58) ALDH1A1TP53CES2MAPTKDM4E
SCHEMBL7929863 0.75 CES2 (0.50) TSHRALDH1A1CPT1BHTTCES2
SCHEMBL7831951 0.75 HSP90AA1 (0.51) TSHRCPT1BSRD5A2MAPTKDM4E
SCHEMBL69880 0.74 TSHR (0.68) TSHRALDH1A1TP53SRD5A2MAPT
SCHEMBL934079 0.73 TSHR (0.41) TSHRALDH1A1TP53SRD5A2CES2
SCHEMBL15137054 0.73 CES2 (0.52) TSHRCPT1BCES2CES1MAPT
SCHEMBL38657986 0.73 MAPT (0.51) TSHRALDH1A1CPT1BHTTSRD5A2
SCHEMBL21501292 0.73 MEN1 (0.53) TSHRHTTCES2CES1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002518537-A 2002-06-25 JP claimed
US-6254950-B1 BLEND WITH POLYETHYLENE TEREPHTHALATE AND NAPHTHALATE, POLYBUTYLENE AND POLYTRIMETHYLENE TEREPHTHALATE, AND/OR POLYBUTYLENE NAPHTHALATE; PACKAGING EASTMAN CHEMICAL COMPANY 2001-07-03 US claimed
EP-1088034-A1 HIGH BARRIER POLYESTER/PHENYLENDEDI(OXYACETIC ACID) POLYESTER BLENDS EASTMAN CHEMICAL COMPANY (US) 2001-04-04 EP claimed
WO-1999065989-A1 HIGH BARRIER POLYESTER / PHENYLENEDI (OXYACETIC ACID) POLYESTER BLENDS EASTMAN CHEMICAL COMPANY (US) 1999-12-23 WO claimed
US-5030705-A Packaging material MITSUBISHI KASEI CORPORATION (JP) 1991-07-09 US claimed
EP-0335594-A2 Copolymerized polymer Mitsubishi Chemical Corporation (JP) 1989-10-04 EP claimed
US-6254950-B1 BLEND WITH POLYETHYLENE TEREPHTHALATE AND NAPHTHALATE, POLYBUTYLENE AND POLYTRIMETHYLENE TEREPHTHALATE, AND/OR POLYBUTYLENE NAPHTHALATE; PACKAGING EASTMAN CHEMICAL COMPANY 2001-07-03 US disclosed
EP-1095093-A1 MULTI-LAYERED POLYESTER ARTICLES CONTAINING A RESIDUE OF PHENYLENEDI(OXYACETIC ACID) AND HAVING GOOD BARRIER TO GAS PERMEATION EASTMAN CHEMICAL COMPANY (US) 2001-05-02 EP disclosed
EP-1088034-A1 HIGH BARRIER POLYESTER/PHENYLENDEDI(OXYACETIC ACID) POLYESTER BLENDS EASTMAN CHEMICAL COMPANY (US) 2001-04-04 EP disclosed
WO-1999065967-A1 MULTI-LAYERED POLYESTER ARTICLES CONTAINING A RESIDUE OF PHENYLENEDI(OXYACETIC ACID) AND HAVING GOOD BARRIER TO GAS PERMEATION EASTMAN CHEMICAL COMPANY (US) 1999-12-23 WO disclosed
WO-1999065989-A1 HIGH BARRIER POLYESTER / PHENYLENEDI (OXYACETIC ACID) POLYESTER BLENDS EASTMAN CHEMICAL COMPANY (US) 1999-12-23 WO disclosed
US-5030705-A Packaging material MITSUBISHI KASEI CORPORATION (JP) 1991-07-09 US disclosed
US-4959421-A PHENYLENEBIS/OXYACETIC ACID/ MITSUBISHI KASEI CORPORATION (JP) 1990-09-25 US disclosed
EP-0335594-A2 Copolymerized polymer Mitsubishi Chemical Corporation (JP) 1989-10-04 EP disclosed