SCHEMBL14734636

SCHEMBL14734636

N/C(=C\c1ccc(OCCCCCCCCCCCO)cc1)c1ccc2c(c1)OCO2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.43
NPC1 O15118 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
MAOB P27338 4/20 0.43
TP53 P04637 1/20 0.42
MAOA P21397 2/20 0.40
PRMT1 Q99873 3/20 0.39
F2 P00734 2/20 0.39
ST14 Q9Y5Y6 2/20 0.39
KCNH2 Q12809 2/20 0.39
HRH3 Q9Y5N1 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
PLAU P00749 1/20 0.39
PRMT5 O14744 1/20 0.39
SLC22A2 O15244 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) RAB9ANPC1SMN1; SMN2KDM4EMEN1
SCHEMBL14734667 0.86 MAOB (0.43) RAB9ANPC1SMN1; SMN2MEN1MAPT
SCHEMBL14723286 0.84 KIF20A (0.43) RAB9ANPC1SMN1; SMN2KDM4EMEN1
SCHEMBL14722497 0.84 KIF20A (0.43) RAB9ANPC1SMN1; SMN2KDM4EMEN1
SCHEMBL14734666 0.83 NQO1 (0.47) RAB9ANPC1SMN1; SMN2KDM4EMEN1
SCHEMBL14734681 0.81 PRSS1 (0.47) RAB9ANPC1SMN1; SMN2KDM4EMEN1
SCHEMBL14722730 0.79 KIF20A (0.47) RAB9ANPC1SMN1; SMN2KDM4EMEN1
SCHEMBL14722884 0.79 KIF20A (0.47) RAB9ANPC1SMN1; SMN2KDM4EMEN1
SCHEMBL14734643 0.78 ESR1 (0.38) RAB9ANPC1SMN1; SMN2KDM4EMAPT
SCHEMBL14734623 0.75 PRSS1 (0.47) RAB9ANPC1SMN1; SMN2KDM4EMEN1

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