SCHEMBL14734667

SCHEMBL14734667

N/C(=C\c1ccc2c(c1)OCCO2)c1ccc(OCCCCCCCCO)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.43
MAOA P21397 4/20 0.43
RAB9A P51151 4/20 0.41
NPC1 O15118 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.41
TSHR P16473 2/20 0.41
PRMT1 Q99873 3/20 0.39
F2 P00734 2/20 0.39
ST14 Q9Y5Y6 2/20 0.39
PLAU P00749 1/20 0.39
PRMT5 O14744 1/20 0.39
SLC22A2 O15244 1/20 0.39
SLC22A1 O15245 1/20 0.39
TMPRSS2 O15393 1/20 0.39
PTP4A3 O75365 1/20 0.39
SLC22A3 O75751 1/20 0.39
F10 P00742 1/20 0.39
PLG P00747 1/20 0.39

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
SCHEMBL14734648 0.93 RAB9A (0.43) MAOBMAOARAB9ANPC1MEN1
SCHEMBL14734643 0.89 ESR1 (0.38) MAOARAB9ANPC1MAPTPRMT1
SCHEMBL14734636 0.86 RAB9A (0.43) MAOBMAOARAB9ANPC1MEN1
SCHEMBL14723023 0.84 CASP3 (0.43) MAOBMAOARAB9ANPC1MEN1
SCHEMBL14723021 0.84 CASP3 (0.43) MAOBMAOARAB9ANPC1MEN1
SCHEMBL14734623 0.83 PRSS1 (0.47) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL14734629 0.83 HTT (0.53) MAOBMAOARAB9ANPC1MEN1
SCHEMBL14722730 0.77 KIF20A (0.47) MAOBRAB9ANPC1MEN1KMT2A
SCHEMBL14722884 0.77 KIF20A (0.47) MAOBRAB9ANPC1MEN1KMT2A
SCHEMBL14734681 0.77 PRSS1 (0.47) RAB9ANPC1MEN1KMT2AMAPT

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