SCHEMBL14734643

SCHEMBL14734643

N/C(=C\c1ccc2c(c1)OCC2)c1ccc(OCCCCCCCCO)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
PRMT1 Q99873 3/20 0.37
F2 P00734 2/20 0.37
ST14 Q9Y5Y6 2/20 0.37
PLAU P00749 1/20 0.37
PRMT5 O14744 1/20 0.37
SLC22A2 O15244 1/20 0.37
SLC22A1 O15245 1/20 0.37
TMPRSS2 O15393 1/20 0.37
PTP4A3 O75365 1/20 0.37
SLC22A3 O75751 1/20 0.37
F10 P00742 1/20 0.37
PLG P00747 1/20 0.37
S100B P04271 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
ADRA2A P08913 1/20 0.37
CYP2D6 P10635 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
SCHEMBL14734667 0.89 MAOB (0.43) PRMT1F2ST14PLAUPRMT5
SCHEMBL14723017 0.85 ALDH1A1 (0.40) ESR1ESR2PNLIPALDH1A1MAPT
SCHEMBL14723018 0.85 ALDH1A1 (0.40) ESR1ESR2PNLIPALDH1A1MAPT
SCHEMBL14734648 0.84 RAB9A (0.43) PRMT1F2ST14PLAUPRMT5
SCHEMBL14734645 0.83 HTT (0.51) KCNH2POLBRAB9ANPC1MAPT
SCHEMBL14734636 0.78 RAB9A (0.43) PRMT1F2ST14PLAUPRMT5
SCHEMBL15869766 0.74 KIF20A (0.34) ALDH1A1POLBSMN1; SMN2MAPTKDM4E
SCHEMBL14723021 0.73 CASP3 (0.43) MAOAALDH1A1LMNAPOLBRAB9A
SCHEMBL14723023 0.73 CASP3 (0.43) MAOAALDH1A1LMNAPOLBRAB9A
SCHEMBL14734623 0.73 PRSS1 (0.47) PRSS1PNLIPALDH1A1POLBRAB9A

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