SCHEMBL6574116

SCHEMBL6574116

CC(CO)Cc1ccc(C(=O)O)c(CC(C)CO)c1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 3/20 0.35
ELANE P08246 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.31
TRPA1 O75762 2/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
CRHBP P24387 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
CRHR2 Q13324 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
AKR1C2 P52895 1/20 0.31

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
SCHEMBL6447618 0.88 MAPT (0.36) ELANEALDH1A1CYP1A2CA12CA1
SCHEMBL6575369 0.85 ACE2 (0.41) ACE2ELANEALDH1A1CYP1A2TRPA1
SCHEMBL6443243 0.82 LMNA (0.39) ALDH1A1MEN1LMNAHPGDCRHBP
SCHEMBL6834122 0.81 ALDH1A1 (0.34) ACE2ALDH1A1CYP1A2MEN1LMNA
SCHEMBL6444382 0.76 POLB (0.39) ALDH1A1CYP1A2HTT
SCHEMBL1446930 0.75 MAPT (0.36) ELANEALDH1A1CYP1A2CA12CA1
SCHEMBL2278424 0.74 LMNA (0.33) ALDH1A1CYP1A2CA12CA1CA2
SCHEMBL7758673 0.73 FOLH1 (0.49) ELANEALDH1A1TRPA1CA12CA1
SCHEMBL6014068 0.73 PTGS1 (0.42) ALDH1A1CYP1A2MEN1LMNAHPGD
SCHEMBL1446880 0.73 PLA2G1B (0.33) ALDH1A1MEN1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1056795-B1 Compositions based on 2-methyl-1,3-propanediol and a phthalic acid ARCO CHEM TECH (US) 2004-04-28 EP claimed
EP-1056795-A1 PROCESS FOR MAKING POLYETHERESTER RESINS WITH HIGH AROMATIC ESTER CONTENT ARCO Chemical Technology, L.P. (US) 2000-12-06 EP claimed
WO-1999042512-A1 PROCESS FOR MAKING POLYETHERESTER RESINS WITH HIGH AROMATIC ESTER CONTENT ARCO CHEMICAL TECHNOLOGY, L.P. (US) 1999-08-26 WO claimed
US-5880225-A COMPOSITION COMPRISING 2-METHYL-1,3-PROPANEDIOL, GLYCOL ESTER DERIVED FROM SAID DIOL AND PHTHALIC ACID DERIVATIVE ARCO CHEMICAL TECHNOLOGY, L.P. (US) 1999-03-09 US claimed
EP-1217022-B1 Process for making polyetherester resins with high aromatic ester content ARCO CHEM TECH (US) 2004-04-28 EP disclosed
EP-1056795-B1 Compositions based on 2-methyl-1,3-propanediol and a phthalic acid ARCO CHEM TECH (US) 2004-04-28 EP disclosed
EP-1217022-A2 Process for making polyetherester resins with high aromatic ester content ARCO Chemical Technology, L.P. (US) 2002-06-26 EP disclosed
EP-1056795-A1 PROCESS FOR MAKING POLYETHERESTER RESINS WITH HIGH AROMATIC ESTER CONTENT ARCO Chemical Technology, L.P. (US) 2000-12-06 EP disclosed
WO-1999042512-A1 PROCESS FOR MAKING POLYETHERESTER RESINS WITH HIGH AROMATIC ESTER CONTENT ARCO CHEMICAL TECHNOLOGY, L.P. (US) 1999-08-26 WO disclosed
US-5880225-A COMPOSITION COMPRISING 2-METHYL-1,3-PROPANEDIOL, GLYCOL ESTER DERIVED FROM SAID DIOL AND PHTHALIC ACID DERIVATIVE ARCO CHEMICAL TECHNOLOGY, L.P. (US) 1999-03-09 US disclosed