SCHEMBL14734632

SCHEMBL14734632

C=C(C)C(=O)OCCCCCCCCOc1ccc(/C=C(\N)c2ccc(OC)c(OC)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.57
POLB P06746 1/20 0.57
APEX1 P27695 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
LTB4R Q15722 2/20 0.46
PLA2G4B P0C869 1/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 4/20 0.44
LTB4R2 Q9NPC1 1/20 0.44
PRSS1 P07477 2/20 0.43
LMNA P02545 3/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
TNFRSF1A P19438 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
GAA P10253 1/20 0.40
NQO2 P16083 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL13925724 0.91 PRSS1 (0.49) HTTPOLBAPEX1TDP1LTB4R
SCHEMBL14734638 0.88 HTT (0.56) HTTPOLBAPEX1TDP1GAA
SCHEMBL14734620 0.87 HTT (0.58) HTTPOLBAPEX1TDP1GAA
SCHEMBL4652668 0.86 HTT (0.53) HTTPOLBAPEX1TDP1LTB4R
SCHEMBL4652665 0.86 HTT (0.53) HTTPOLBAPEX1TDP1LTB4R
SCHEMBL14605719 0.85 TDP1 (0.43) HTTPOLBAPEX1TDP1KMT2A
SCHEMBL14734665 0.82 RAB9A (0.44) HTTPOLBAPEX1TDP1KMT2A
SCHEMBL14734650 0.82 MAPT (0.43) HTTPOLBAPEX1TDP1KMT2A
SCHEMBL14734663 0.82 HTT (0.58) HTTPOLBAPEX1TDP1GAA
SCHEMBL14722519 0.82 HTT (0.53) HTTPOLBAPEX1TDP1KMT2A

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