SCHEMBL1644710

SCHEMBL1644710

O=C(OCC1CO1)c1ccc(Br)cc1C(=O)OCC1CO1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.43
PTPN2 P17706 3/20 0.41
PTPN1 P18031 2/20 0.41
PTPN6 P29350 2/20 0.41
MGLL Q99685 2/20 0.40
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 2/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
PTPN11 Q06124 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
SCHEMBL157854 0.84 DHFR (0.48) DHFRMGLLSMN1; SMN2MAPK1L3MBTL1
SCHEMBL155724 0.83 DHFR (0.44) DHFRMGLLMAPK1L3MBTL1ALDH1A1
SCHEMBL1726192 0.83 SERPINE1 (0.46) DHFRMGLLMAPTL3MBTL1ALDH1A1
SCHEMBL31534596 0.82 DHFR (0.43) DHFRMGLLSMN1; SMN2MAPK1L3MBTL1
SCHEMBL1715642 0.82 DHFR (0.43) DHFRMGLLMAPTMAPK1L3MBTL1
SCHEMBL4887674 0.81 DHFR (0.43) DHFRMGLL
SCHEMBL29374975 0.80 DHFR (0.59) DHFRMGLLMAPK1L3MBTL1ALDH1A1
SCHEMBL21801767 0.80 DHFR (0.59) DHFRMGLLMAPK1L3MBTL1ALDH1A1
SCHEMBL121520 0.80 DHFR (0.59) DHFRMGLLMAPK1L3MBTL1ALDH1A1
SCHEMBL8847028 0.80 LMNA (0.56) PTPN2PTPN1MGLLLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2256163-B1 EPOXY RESIN COMPOSITION, FIBER-REINFORCED COMPOSITE MATERIAL AND METHOD FOR PRODUCING THE SAME TORAY INDUSTRIES (JP) 2018-11-14 EP disclosed
US-20160159993-A1 EPOXY RESIN COMPOSITION, FIBER-REINFORCED COMPOSITE MATERIAL, AND METHOD FOR PRODUCING THE SAME TORAY INDUSTRIES, INC. (JP) 2016-06-09 US disclosed
US-20110097568-A1 EPOXY RESIN COMPOSITION, FIBER-REINFORCED COMPOSITE MATERIAL, AND METHOD FOR PRODUCING THE SAME TORAY INDUSTRIES, INC 2011-04-28 US disclosed
EP-2256163-A1 EPOXY RESIN COMPOSITION, FIBER-REINFORCED COMPOSITE MATERIAL AND METHOD FOR PRODUCING THE SAME Toray Industries, Inc. (JP) 2010-12-01 EP disclosed