SCHEMBL14722008

SCHEMBL14722008

O=c1[nH]ncc(CCc2c(F)cccc2F)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 6/20 0.42
KDM4E B2RXH2 4/20 0.41
TSHR P16473 1/20 0.38
AR P10275 2/20 0.38
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
TIPARP Q7Z3E1 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
HTT P42858 1/20 0.34
PIK3CA P42336 1/20 0.33
ERN1 O75460 1/20 0.33
HSD17B10 Q99714 2/20 0.33
ALDH1A1 P00352 1/20 0.33
PARP1 P09874 1/20 0.33
PRKCI P41743 1/20 0.33
PDE4B Q07343 1/20 0.33
DDO Q99489 2/20 0.32
HSP90AA1 P07900 1/20 0.32

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
SCHEMBL14722688 0.91 DAO (0.48) DAOKDM4ETSHRROCK2ROCK1
SCHEMBL14722542 0.87 DAO (0.49) DAOKDM4ETSHRARTDP1
SCHEMBL14723525 0.78 DAO (0.49) DAO
SCHEMBL14722466 0.77 DAO (0.46) DAOPARP1
SCHEMBL14722889 0.69 RNASEH1 (0.43) DAOKDM4EARTDP1HSD17B10
SCHEMBL14718767 0.68 DAO (0.46) DAOKDM4EARPARP1DDO
SCHEMBL7701701 0.66 TAAR1 (0.52) DAOKDM4ETSHRHTTALDH1A1
SCHEMBL21325388 0.65 ALDH1A1 (0.34) KDM4ETIPARPTDP1HSD17B10ALDH1A1
SCHEMBL1009337 0.64 HSD17B10 (0.53) DAOKDM4ETSHRARTIPARP
SCHEMBL29655001 0.64 HSD17B10 (0.53) DAOKDM4ETSHRARTIPARP

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-2747792-A1 HYGIENIC OR PERSONAL CARE ARTICLE HAVING A CONTENT OF COPPER OR COPPER IONS Riesinger, Birgit (DE) 2014-07-02 EP disclosed
WO-2013026912-A1 HYGIENIC OR PERSONAL CARE ARTICLE HAVING A CONTENT OF COPPER OR COPPER IONS RIESINGER BIRGIT (DE) 2013-02-28 WO disclosed