SCHEMBL1723588

SCHEMBL1723588

CPOS(=O)(=O)c1cc(C(=O)O)cc(C(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.52
FYN P06241 1/20 0.52
CYP1A2 P05177 1/20 0.46
TPMT P51580 2/20 0.38
CA1 P00915 5/20 0.36
CA2 P00918 5/20 0.36
CA12 O43570 4/20 0.36
CA7 P43166 4/20 0.36
CA9 Q16790 4/20 0.36
CA14 Q9ULX7 4/20 0.36
CA3 P07451 3/20 0.36
CA6 P23280 3/20 0.36
CA5A P35218 3/20 0.36
CA5B Q9Y2D0 3/20 0.36
CA4 P22748 2/20 0.36
PKM P14618 1/20 0.36
WDR5 P61964 1/20 0.35
F2 P00734 2/20 0.35
PRSS1 P07477 2/20 0.35
PRSS2 P07478 2/20 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
SCHEMBL28371888 0.79 LCK (0.57) LCKFYNCYP1A2TPMTCA1
SCHEMBL28372207 0.77 LCK (0.55) LCKFYNCYP1A2TPMTCA1
SCHEMBL10434490 0.76 LCK (0.46) LCKFYNCYP1A2CA1CA2
SCHEMBL29162760 0.75 LCK (0.57) LCKFYNCYP1A2TPMTCA1
SCHEMBL7177843 0.75 LCK (0.57) LCKFYNCYP1A2TPMTCA1
SCHEMBL1722552 0.74 LCK (0.52) LCKFYNCYP1A2TPMTCA1
SCHEMBL27310672 0.74 LCK (0.52) LCKFYNCYP1A2TPMTCA1
SCHEMBL27655107 0.73 LCK (0.50) LCKFYNCYP1A2TPMTCA1
SCHEMBL2169072 0.71 LCK (0.48) LCKFYNCYP1A2CA1CA2
SCHEMBL3185974 0.71 LCK (0.64) LCKFYNCYP1A2TPMTCA1

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
EP-3814562-A1 SPUN YARN COMPRISING POLYESTER STAPLE FIBRE AND FABRIC COMPRISING THE SAME DuPont Industrial Biosciences USA, LLC (US) 2021-05-05 EP disclosed
EP-2403895-A1 POLY(TRIMETHYLENE TEREPHTHALATE) PELLETS WITH REDUCED OLIGOMERS AND METHOD TO MEASURE OLIGOMER REDUCTION E. I. du Pont de Nemours and Company (US) 2012-01-11 EP disclosed
EP-2334725-A1 FLAME RETARDANT POLY(TRIMETHYLENE TEREPHTHALATE) COMPOSITION E. I. du Pont de Nemours and Company (US) 2011-06-22 EP disclosed
EP-2334726-A1 FLAME RETARDANT POLY(TRIMETHYLENE TEREPHTHALATE) COMPOSITION E. I. du Pont de Nemours and Company (US) 2011-06-22 EP disclosed
WO-2010101913-A1 POLY(TRIMETHYLENE TEREPHTHALATE) PELLETS WITH REDUCED OLIGOMERS AND METHOD TO MEASURE OLIGOMER REDUCTION E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-09-10 WO disclosed
WO-2010077937-A1 REDUCTION OF WHITENING OF POLY(TRIMETHYLENE TEREPHTHALATE) PARTS BY SOLVENT EXPOSURE E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-08 WO disclosed
WO-2010045202-A1 FLAME RETARDANT POLY(TRIMETHYLENE TEREPHTHALATE) COMPOSITION E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-04-22 WO disclosed
WO-2010045181-A1 FLAME RETARDANT POLY(TRIMETHYLENE TEREPHTHALATE) COMPOSITION E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-04-22 WO disclosed