SCHEMBL7607934

SCHEMBL7607934

COc1cc(C(=O)C(=O)O)cc(C(=O)C(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.50
CES1 P23141 3/20 0.50
ALDH1A1 P00352 1/20 0.50
RXRA P19793 1/20 0.50
ABCG2 Q9UNQ0 1/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
NPC1 O15118 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 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
SCHEMBL4592300 0.98 ALDH1A1 (0.52) CES2CES1ALDH1A1RXRAABCG2
SCHEMBL25508540 0.85 CES2 (0.64) CES2CES1ALDH1A1RXRAABCG2
SCHEMBL25508690 0.84 RXRA (0.58) CES2CES1ALDH1A1RXRAABCG2
SCHEMBL17414538 0.83 MEN1 (0.44) CES2CES1RXRAABCG2KDM4E
3,5-Dimethoxybenzoic Acid SCHEMBL503889 0.81 RXRA (0.64) ALDH1A1RXRAABCG2KDM4EGAA
SCHEMBL39734 0.81 CA1 (0.60) CES2CES1ALDH1A1RXRAKDM4E
SCHEMBL2362917 0.80 CPT1B (0.52) CES2CES1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL2682408 0.79 CES2 (0.81) CES2CES1ALDH1A1ABCG2NPC1
Hydrochloric Acid SCHEMBL3361588 0.79 CA1 (0.58) CES2CES1ALDH1A1RXRAKDM4E
SCHEMBL15624896 0.79 ALDH1A1 (0.52) CES2CES1ALDH1A1RXRAABCG2

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