SCHEMBL19304512

SCHEMBL19304512

O=C(O)c1ccc(C(=O)O)c([Na])c1.O=C(O)c1ccc(C(=O)O)c([Na])c1.O=C(O)c1cccc(C(=O)O)c1S(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.44
KDM4E B2RXH2 3/20 0.41
ALOX15 P16050 1/20 0.41
CYP2D6 P10635 1/20 0.39
HSD17B10 Q99714 2/20 0.39
CDC25A P30304 1/20 0.39
CDC25B P30305 1/20 0.39
APEX1 P27695 2/20 0.38
POLB P06746 2/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 1/20 0.36
PTPN11 Q06124 1/20 0.36
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA6 P23280 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL27738428 0.86 HSD17B10 (0.54) PTPN1KDM4EALOX15CYP2D6HSD17B10
Terephthalic Acid SCHEMBL17457900 0.84 PTPN1 (0.49) PTPN1KDM4EALOX15CYP2D6HSD17B10
Isophthalic Acid SCHEMBL28784194 0.84 ALOX15 (0.49) PTPN1KDM4EALOX15CYP2D6HSD17B10
Terephthalic Acid SCHEMBL17685563 0.84 ALOX15 (0.52) PTPN1KDM4EALOX15CYP2D6HSD17B10
Isophthalic Acid SCHEMBL11030249 0.82 KDM4E (0.55) PTPN1KDM4EHSD17B10CDC25ACDC25B
Terephthalic Acid SCHEMBL20545564 0.82 ALOX15 (0.50) PTPN1KDM4EALOX15CYP2D6HSD17B10
Terephthalic Acid SCHEMBL7867064 0.82 ALOX15 (0.50) PTPN1KDM4EALOX15CYP2D6HSD17B10
Benzene SCHEMBL10638262 0.80 ALOX15 (0.59) KDM4EALOX15CYP2D6HSD17B10L3MBTL1
SCHEMBL65889 0.80 ALOX15 (0.59) KDM4EALOX15CYP2D6HSD17B10L3MBTL1
Terephthalic Acid SCHEMBL6654997 0.79 CYP2C19 (0.44) PTPN1KDM4EALOX15CYP2D6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3214132-B1 POLYESTER RESIN COMPOSITION AND METHOD FOR PRODUCING SAME TORAY INDUSTRIES (JP) 2020-03-18 EP disclosed
EP-3214132-A1 POLYESTER RESIN COMPOSITION AND METHOD FOR PRODUCING SAME Toray Industries, Inc. (JP) 2017-09-06 EP disclosed