SCHEMBL14734629

SCHEMBL14734629

C=C(C)C(=O)OCCCCCCCCOc1ccc(/C(N)=C/c2ccc3c(c2)OCCO3)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.53
POLB P06746 1/20 0.53
APEX1 P27695 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
RAB9A P51151 7/20 0.42
NPC1 O15118 5/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 6/20 0.41
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
GAA P10253 3/20 0.39
MAPK1 P28482 2/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CTNNB1 P35222 1/20 0.39
MTNR1A P48039 1/20 0.37
MTNR1B P49286 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
SCHEMBL14734645 0.91 HTT (0.51) HTTPOLBAPEX1TDP1RAB9A
SCHEMBL14734665 0.87 RAB9A (0.44) HTTPOLBAPEX1TDP1RAB9A
SCHEMBL14722525 0.86 POLB (0.50) HTTPOLBAPEX1TDP1RAB9A
SCHEMBL14722523 0.86 POLB (0.50) HTTPOLBAPEX1TDP1RAB9A
SCHEMBL14734663 0.83 HTT (0.58) HTTPOLBAPEX1TDP1GAA
SCHEMBL14734667 0.83 MAOB (0.43) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL14734650 0.81 MAPT (0.43) HTTPOLBAPEX1TDP1RAB9A
SCHEMBL15862274 0.81 TDP1 (0.50) HTTPOLBAPEX1TDP1RAB9A
SCHEMBL15862275 0.81 TDP1 (0.50) HTTPOLBAPEX1TDP1RAB9A
SCHEMBL14734680 0.79 MAPT (0.43) HTTPOLBAPEX1TDP1RAB9A

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