SCHEMBL8428909

SCHEMBL8428909

O=C(c1ccccc1)c1ccc(O)c(S(=O)(=O)O)c1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
GAA P10253 2/20 0.49
MEN1 O00255 2/20 0.49
USP2 O75604 1/20 0.49
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 1/20 0.49
MAPT P10636 5/20 0.47
MAPK1 P28482 3/20 0.47
KDM4E B2RXH2 3/20 0.47
HSD17B10 Q99714 3/20 0.47
ALOX15 P16050 1/20 0.47
LMNA P02545 5/20 0.47
ALDH1A1 P00352 4/20 0.47
CYP2D6 P10635 2/20 0.45
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HPGD P15428 3/20 0.43
CYP1A2 P05177 1/20 0.43
PGR P06401 1/20 0.43

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
SCHEMBL5181784 0.87 KMT2A (0.49) KMT2AGAAMEN1USP2KEAP1
SCHEMBL27696368 0.82 MAPT (0.49) KMT2AGAAMEN1USP2KEAP1
SCHEMBL2046238 0.81 LIG1 (0.49) KMT2AGAAMEN1USP2KEAP1
SCHEMBL27262586 0.80 SELL (0.57) KMT2AGAAMEN1MAPTKDM4E
SCHEMBL717833 0.80 MAPT (0.68) KMT2AMAPTMAPK1KDM4EHSD17B10
Water SCHEMBL4668603 0.79 MAPT (0.67) KMT2AMAPTMAPK1KDM4EHSD17B10
SCHEMBL871131 0.79 MAPT (0.67) KMT2AMAPTMAPK1KDM4EHSD17B10
SCHEMBL27653713 0.79 SELL (0.55) KMT2AGAAMEN1MAPTKDM4E
SCHEMBL93423 0.78 HDAC1 (0.66) KMT2AGAAMEN1USP2KEAP1
SCHEMBL29366285 0.78 HDAC1 (0.66) KMT2AGAAMEN1USP2KEAP1

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
US-9404199-B2 Polyurethane elastic yarn and method for producing same INVISTA NORTH AMERICA S.A.R.L. (US) 2016-08-02 US disclosed
US-20120296016-A1 POLYURETHANE ELASTIC YARN AND METHOD FOR PRODUCING SAME TORAY OPELONTEX CO., LTD. (JP) 2012-11-22 US disclosed
EP-2514860-A1 POLYURETHANE ELASTIC YARN AND METHOD FOR PRODUCING SAME Toray Opelontex Co., Ltd (JP) 2012-10-24 EP disclosed
EP-0662314-B1 Method of hair treatment KAO CORP (JP) 1999-11-03 EP disclosed