SCHEMBL10787286

SCHEMBL10787286

C=C(O)C(=O)Oc1cccc(O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.59
ESR1 P03372 2/20 0.49
ESR2 Q92731 2/20 0.49
POLB P06746 1/20 0.49
CA12 O43570 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CA1 P00915 1/20 0.42
CA6 P23280 1/20 0.42
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CA5A P35218 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
EGFR P00533 1/20 0.38
APP P05067 1/20 0.38
CHRNB2 P17787 1/20 0.38

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
SCHEMBL31097939 0.84 CYP3A4 (0.68) CYP3A4ESR1ESR2POLBCA12
SCHEMBL220625 0.84 CYP3A4 (0.68) CYP3A4ESR1ESR2POLBCA12
SCHEMBL27686630 0.82 CYP3A4 (0.51) CYP3A4ESR1ESR2POLBCA12
SCHEMBL258585 0.80 CYP3A4 (0.74) CYP3A4ESR1ESR2POLBCA12
SCHEMBL31281184 0.80 CYP3A4 (0.74) CYP3A4ESR1ESR2POLBCA12
SCHEMBL28835525 0.80 LMNA (0.53) CYP3A4ESR1ESR2POLBMEN1
SCHEMBL5132602 0.80 ELANE (0.52) ALDH1A1HSD17B10
SCHEMBL28523831 0.80 CYP3A4 (0.57) CYP3A4ESR1ESR2POLBMEN1
SCHEMBL4928156 0.79 CYP3A4 (0.72) CYP3A4ESR1ESR2POLBCA12
SCHEMBL8157267 0.79 CYP3A4 (0.71) CYP3A4ESR1ESR2POLBCA12

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
EP-0052927-B1 STRETCHED FILM STRUCTURE OF THE POLY-1,3-PHENYLENE TEREPHTHALATE TYPE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1987-01-07 EP disclosed
US-4390683-A Stretched film structure of the poly-1,3-phenylene terephthalate type MITSUI PETROCHEMICAL INDUSTRIES LTD. (JP) 1983-06-28 US disclosed
EP-0052927-A2 Stretched film structure of the poly-1,3-phenylene terephthalate type MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1982-06-02 EP disclosed