SCHEMBL5961802

SCHEMBL5961802

C=C(c1ccc(OCC)cc1)c1ccc(C(=C)c2ccc(OCC)cc2)c(C)c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.50
PARP10 Q53GL7 1/20 0.49
PRSS1 P07477 1/20 0.49
PRSS2 P07478 1/20 0.49
PRSS3 P35030 1/20 0.49
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 3/20 0.46
MAPT P10636 2/20 0.46
ALOX15 P16050 2/20 0.46
HPGD P15428 2/20 0.46
RECQL P46063 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NPC1 O15118 2/20 0.46
PLK1 P53350 1/20 0.46
PLA2G4B P0C869 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LTA4H P09960 1/20 0.43
RAB9A P51151 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL10696057 0.91 PARP10 (0.45) NQO1PARP10PRSS1PRSS2PRSS3
SCHEMBL7666233 0.85 NQO1 (0.64) NQO1PARP10PRSS1PRSS2PRSS3
SCHEMBL10681956 0.82 MAPT (0.46) NQO1PARP10PRSS1PRSS2PRSS3
SCHEMBL19220415 0.78 LTA4H (0.57) NQO1PARP10PRSS1PRSS2PRSS3
SCHEMBL10685576 0.78 NPC1 (0.57) NQO1PARP10PRSS1PRSS2PRSS3
SCHEMBL10685241 0.76 KDM4E (0.47) NQO1PARP10PRSS1PRSS2PRSS3
SCHEMBL9312577 0.75 NQO1 (0.61) NQO1PARP10PRSS1PRSS2PRSS3
SCHEMBL8924890 0.74 MEN1 (0.58) NQO1PARP10PRSS1PRSS2PRSS3
SCHEMBL10878020 0.74 PARP10 (0.56) NQO1PARP10PRSS1PRSS2PRSS3
SCHEMBL18911078 0.73 NQO1 (0.58) NQO1PARP10PRSS1PRSS2PRSS3

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
US-8168734-B2 Lateral alpha-substituted acrylate compound and polymer thereof JNC CORPORATION (JP) 2012-05-01 US disclosed