SCHEMBL8068096

SCHEMBL8068096

C=C(C)C(=O)OCCOCCNc1ccc2cc3ccccc3cc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.42
ALDH1A1 P00352 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
HIF1A Q16665 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HDAC1 Q13547 2/20 0.37
HDAC7 Q8WUI4 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37

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
SCHEMBL8053871 0.96 ALDH1A1 (0.44) THRBALDH1A1CYP1A2CYP2C19HIF1A
SCHEMBL8068053 0.78 CYP1A2 (0.51) ALDH1A1CYP1A2MEN1KMT2AKDM4E
SCHEMBL8068136 0.77 KCNH3 (0.50) ALDH1A1CYP1A2CYP2C19HIF1AMEN1
SCHEMBL25123493 0.77 KDM4E (0.62) THRBALDH1A1MEN1KMT2AKDM4E
SCHEMBL116991 0.77 KDM4E (0.62) THRBALDH1A1MEN1KMT2AKDM4E
SCHEMBL19360464 0.76 HRH3 (0.52) THRBALDH1A1MEN1KMT2AKDM4E
SCHEMBL19360462 0.76 HRH3 (0.52) THRBALDH1A1MEN1KMT2AKDM4E
SCHEMBL305728 0.76 POLB (0.44) THRBALDH1A1KDM4EHSD17B10POLB
SCHEMBL13609723 0.76 HRH3 (0.51) THRBALDH1A1MEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL11047494 0.74 POLB (0.43) THRBALDH1A1KDM4EHSD17B10POLB

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