SCHEMBL1498029

SCHEMBL1498029

COCCOCCc1c(C(=O)O)ccc(C(=O)O)c1CCOCCOC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 1/20 0.42
PTK2B Q14289 1/20 0.42
MAPK1 P28482 1/20 0.40
ABCB11 O95342 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADRA2B P18089 1/20 0.38
OPRD1 P41143 1/20 0.38
SCN5A Q14524 1/20 0.38
RARA P10276 1/20 0.37
RARB P10826 1/20 0.37
LIPC P11150 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
CYP1A2 P05177 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35

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
SCHEMBL17797893 0.89 TSHR (0.46) TSHRALDH1A1MAPK1CYP1A2TDP1
SCHEMBL17797914 0.86 ALDH1A1 (0.42) TSHRALDH1A1KMT2APTK2BRARA
SCHEMBL1957697 0.83 TSHR (0.37) TSHRALDH1A1KMT2APTK2BMAPK1
SCHEMBL17797802 0.83 RARB (0.53) TSHRALDH1A1KMT2APTK2BRARA
SCHEMBL17797832 0.81 CYP1A2 (0.43) TSHRALDH1A1KMT2APTK2BRARA
SCHEMBL1072025 0.81 ALDH1A1 (0.41) TSHRALDH1A1KMT2APTK2BMAPK1
SCHEMBL17797799 0.81 RARB (0.51) TSHRALDH1A1RARARARBTDP1
SCHEMBL29248415 0.81 KMT2A (0.41) TSHRALDH1A1KMT2APTK2BMAPK1
Phthalic Acid SCHEMBL9804564 0.79 ALDH1A1 (0.59) TSHRALDH1A1KMT2APTK2BMAPK1
SCHEMBL5384753 0.79 ALDH1A1 (0.39) TSHRALDH1A1KMT2APTK2BMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7897651-B2 Method for depolymerizing polyester and unsaturated polyester, and method for recovering polyester monomer using the depolymerization IKENAGA, KAZUTOSHI (JP) 2011-03-01 US disclosed
US-20090318579-A1 Method for Depolymerizing Polyester and Unsaturated Polyester, and Method for Recovering Polyester Monomer Using the Depolymerization KUMAMOTO TECHNOLOGY AND INDUSTRY FOUNDATION (JP) 2009-12-24 US disclosed
EP-1964877-A1 METHOD OF DEPOLYMERIZING POLYESTER AND UNSATURATED POLYESTER AND METHOD OF RECOVERING POLYESTER MONOMER WITH THE DEPOLYMERIZATION METHOD Kumamoto Technology & Industry Foundation (JP) 2008-09-03 EP disclosed