SCHEMBL8065282

SCHEMBL8065282

C=C(C)C(=O)OCCOCc1c2ccccc2cc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.46
EPHX1 P07099 1/20 0.41
POLB P06746 2/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTR2A P28223 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 2/20 0.36
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 2/20 0.35
CYP1A2 P05177 1/20 0.35
GLA P06280 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GPR35 Q9HC97 2/20 0.35
EDNRA P25101 1/20 0.34

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
SCHEMBL5594535 0.87 RAD52 (0.45) THRBEPHX1POLBAPEX1HTT
SCHEMBL29625710 0.87 EPHX1 (0.49) EPHX1POLBTDP1HTR2AL3MBTL1
SCHEMBL216321 0.87 EPHX1 (0.49) EPHX1POLBTDP1HTR2AL3MBTL1
SCHEMBL28989675 0.84 TSHR (0.45) THRBEPHX1POLBAPEX1HTT
SCHEMBL28989837 0.83 TSHR (0.48) THRBEPHX1POLBAPEX1HTT
SCHEMBL15751387 0.83 TSHR (0.48) THRBEPHX1POLBAPEX1HTT
SCHEMBL13048901 0.82 EPHX1 (0.45) EPHX1POLBAPEX1HTTTDP1
SCHEMBL13159337 0.81 EPHX1 (0.36) EPHX1POLBHTR2AL3MBTL1MEN1
SCHEMBL13609719 0.81 L3MBTL1 (0.46) THRBPOLBAPEX1HTTTDP1
SCHEMBL2014907 0.79 EPHX1 (0.43) EPHX1POLBHTR2AL3MBTL1TSHR

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-5948268-A DISSOLVING IN WATER TO BE TREATED A POLYMER FORMED FROM WATER SOLUBLE MONOMER UNITS COMPRISING A (POLY)ALKYLENE OXIDE END CAPPED WITH AN ADDITION POLYMERIZABLE GROUP AT ONE END AND AN INTENSELY FLUORESCENT GROUP AT OTHER NIPPON SHOKUBAI CO., LTD. (JP) 1999-09-07 US claimed
EP-0761604-B1 An agent for water treatment NIPPON CATALYTIC CHEM IND (JP) 2000-06-14 EP disclosed
US-5948268-A DISSOLVING IN WATER TO BE TREATED A POLYMER FORMED FROM WATER SOLUBLE MONOMER UNITS COMPRISING A (POLY)ALKYLENE OXIDE END CAPPED WITH AN ADDITION POLYMERIZABLE GROUP AT ONE END AND AN INTENSELY FLUORESCENT GROUP AT OTHER NIPPON SHOKUBAI CO., LTD. (JP) 1999-09-07 US disclosed
EP-0761604-A2 An agent for water treatment NIPPON SHOKUBAI CO., LTD. (JP) 1997-03-12 EP disclosed