SCHEMBL8829481

SCHEMBL8829481

C=C(C)c1ccc(-c2ccc(OCC)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.54
PARP10 Q53GL7 1/20 0.52
PRSS1 P07477 1/20 0.52
PRSS2 P07478 1/20 0.52
PRSS3 P35030 1/20 0.52
ALDH1A1 P00352 2/20 0.49
NPC1 O15118 2/20 0.49
PLK1 P53350 1/20 0.49
XDH P47989 1/20 0.47
PLA2G4B P0C869 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
LTA4H P09960 1/20 0.46
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL9312577 0.94 NQO1 (0.61) NQO1PARP10PRSS1PRSS2PRSS3
SCHEMBL18643860 0.85 XDH (0.56) NQO1PARP10PRSS1PRSS2PRSS3
SCHEMBL17253328 0.82 RARB (0.65) NPC1PLA2G4BLTA4HTSHRRAB9A
SCHEMBL12243089 0.82 RARB (0.65) NPC1PLA2G4BLTA4HTSHRRAB9A
SCHEMBL12243086 0.81 RARB (0.68) NPC1PLA2G4BLTA4HTSHRRAB9A
SCHEMBL12243087 0.81 RARB (0.68) NPC1PLA2G4BLTA4HTSHRRAB9A
SCHEMBL9155582 0.81 NQO1 (0.82) NQO1PARP10PRSS1PRSS2PRSS3
SCHEMBL5833291 0.81 NQO1 (0.82) NQO1PARP10PRSS1PRSS2PRSS3
SCHEMBL18417193 0.81 NQO1 (0.82) NQO1PARP10PRSS1PRSS2PRSS3
SCHEMBL7640912 0.81 PARP10 (0.43) 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-5624974-A Photopolymerizable resin material composition comprising fluorinated (meth)acrylates SHARP KABUSHIKI KAISHA (JP) 1997-04-29 US disclosed