SCHEMBL14734645

SCHEMBL14734645

C=C(C)C(=O)OCCCCCCCCOc1ccc(/C(N)=C/c2ccc3c(c2)OCC3)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.51
POLB P06746 1/20 0.51
APEX1 P27695 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
GAA P10253 1/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 2/20 0.34
KCNH2 Q12809 1/20 0.33
RAB9A P51151 2/20 0.33
GPR183 P32249 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
KMT2A Q03164 1/20 0.33
PPARG P37231 1/20 0.33
PLA2G4A P47712 1/20 0.33
MAPT P10636 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
SCHEMBL14734629 0.91 HTT (0.53) HTTPOLBAPEX1TDP1GAA
SCHEMBL14722881 0.88 TDP1 (0.48) HTTPOLBAPEX1TDP1GAA
SCHEMBL14722879 0.88 TDP1 (0.48) HTTPOLBAPEX1TDP1GAA
SCHEMBL14734651 0.87 PRSS1 (0.40) HTTPOLBAPEX1TDP1RAB9A
SCHEMBL14734643 0.83 ESR1 (0.38) HTTPOLBKCNH2RAB9ANPC1
SCHEMBL14734663 0.82 HTT (0.58) HTTPOLBAPEX1TDP1GAA
SCHEMBL14734665 0.78 RAB9A (0.44) HTTPOLBAPEX1TDP1GAA
SCHEMBL14734620 0.78 HTT (0.58) HTTPOLBAPEX1TDP1GAA
SCHEMBL15861984 0.78 PTPN7 (0.41) HTTPOLBAPEX1TDP1MEN1
SCHEMBL15861983 0.78 PTPN7 (0.41) HTTPOLBAPEX1TDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013026691-A1 PHOTOREACTIVE COMPOUNDS ROLIC AG (CH) 2013-02-28 WO disclosed