SCHEMBL7929863

SCHEMBL7929863

Cc1ccc(C(=O)C(=O)O)cc1C(=O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.50
CES1 P23141 4/20 0.50
TDP1 Q9NUW8 2/20 0.48
MAPT P10636 1/20 0.48
CPT1B Q92523 1/20 0.45
ALDH1A1 P00352 3/20 0.41
HDAC1 Q13547 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PTPRC P08575 2/20 0.38
PTPN1 P18031 2/20 0.38
TSHR P16473 1/20 0.38
PTPRF P10586 1/20 0.38
HDAC8 Q9BY41 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HTT P42858 1/20 0.37
GRM1 Q13255 2/20 0.37
CYP1A2 P05177 1/20 0.37
GAA P10253 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
SCHEMBL10582008 0.83 CES2 (0.70) CES2CES1TDP1MAPTCPT1B
SCHEMBL192460 0.81 MEN1 (0.56) ALDH1A1MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL9305463 0.81 CES2 (0.68) CES2CES1TDP1MAPTCPT1B
SCHEMBL12302152 0.79 HDAC1 (0.61) CES2CES1TDP1MAPTCPT1B
SCHEMBL27298440 0.78 ALDH1A1 (0.57) CES2MAPTALDH1A1MEN1KMT2A
SCHEMBL7931195 0.76 CPT1B (0.42) CES2CES1CPT1BALDH1A1MEN1
SCHEMBL7608864 0.75 TSHR (0.47) CES2CES1TDP1MAPTCPT1B
SCHEMBL11429888 0.75 CES2 (0.50) CES2CES1TDP1MAPTCPT1B
SCHEMBL7927565 0.75 CA12 (0.52) CES2CES1MAPTALDH1A1MEN1
SCHEMBL69633 0.74 TSHR (0.53) TDP1MAPTALDH1A1MEN1KMT2A

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-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
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
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