SCHEMBL7768865

SCHEMBL7768865

COc1cc(CNCCNCc2ccc(O)c(OC)c2)ccc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOS P01100 1/20 0.62
TTR P02766 1/20 0.62
JUN P05412 1/20 0.62
NR3C1 P04150 1/20 0.62
HSD17B1 P14061 1/20 0.62
HSD17B2 P37059 1/20 0.62
KDM4E B2RXH2 1/20 0.59
POLB P06746 1/20 0.59
TAAR1 Q96RJ0 2/20 0.59
TSHR P16473 2/20 0.59
MAPK1 P28482 1/20 0.59
MMP1 P03956 1/20 0.58
CYP3A4 P08684 1/20 0.58
LMNA P02545 1/20 0.57
GLA P06280 1/20 0.57
ALOX15 P16050 1/20 0.57
ALOX12 P18054 1/20 0.57
ALDH1A1 P00352 1/20 0.56
GAA P10253 1/20 0.56
NFKB1 P19838 1/20 0.56

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
SCHEMBL5833247 0.93 TAAR1 (0.62) FOSTTRJUNNR3C1HSD17B1
SCHEMBL19326714 0.92 KDM4E (0.63) FOSTTRJUNNR3C1HSD17B1
SCHEMBL11856117 0.92 FOS (0.57) FOSTTRJUNNR3C1HSD17B1
Hydrochloric Acid SCHEMBL16799316 0.90 KDM4E (0.61) FOSTTRJUNNR3C1HSD17B1
SCHEMBL29442241 0.90 KDM4E (0.61) KDM4EPOLB
SCHEMBL906529 0.89 KDM4E (0.60) KDM4EPOLBCYP3A4ALOX15ALDH1A1
SCHEMBL11856806 0.88 TAAR1 (0.57) FOSTTRJUNNR3C1HSD17B1
SCHEMBL1042189 0.88 ALDH1A1 (0.62) CYP3A4ALOX15ALDH1A1
SCHEMBL9416518 0.86 TSHR (0.58) FOSTTRJUNNR3C1HSD17B1
Hydrochloric Acid SCHEMBL16799320 0.86 TAAR1 (0.58) FOSTTRJUNNR3C1HSD17B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0781552-B1 Multidrug resistance inhibitors NISSHIN FLOUR MILLING CO (JP) 2001-07-25 EP disclosed
US-6011069-A N-POLYISOPRENYL-N,N'-DIBENZYLETHYLENEDIAMINES NISSHIN FLOUR MILLING CO., LTD. (JP) 2000-01-04 US disclosed
EP-0781552-A1 Multidrug resistance inhibitors NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-07-02 EP disclosed