SCHEMBL8066110

SCHEMBL8066110

C[S+]([O-])c1ccc(/C=C\c2cc(F)ccc2C=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 10/20 0.45
HTR2A P28223 4/20 0.41
HTR2C P28335 4/20 0.41
KCNH2 Q12809 2/20 0.41
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
NQO2 P16083 1/20 0.33

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
SCHEMBL8066115 1.00 NFE2L2 (0.45) NFE2L2HTR2AHTR2CKCNH2PTGS1
SCHEMBL11819766 1.00 NFE2L2 (0.45) NFE2L2HTR2AHTR2CKCNH2PTGS1
SCHEMBL8054612 0.81 NFE2L2 (0.46) NFE2L2HTR2AHTR2CKCNH2PTGS1
SCHEMBL8054609 0.81 NFE2L2 (0.46) NFE2L2HTR2AHTR2CKCNH2PTGS1
SCHEMBL8054617 0.81 NFE2L2 (0.46) NFE2L2HTR2AHTR2CKCNH2PTGS1
SCHEMBL8068813 0.79 NFE2L2 (0.44) NFE2L2HTR2AHTR2CKCNH2NQO2
SCHEMBL8068816 0.79 NFE2L2 (0.44) NFE2L2HTR2AHTR2CKCNH2NQO2
SCHEMBL8054621 0.77 ERN1 (0.38) PTGS1PTGS2
SCHEMBL8064075 0.75 ATM (0.38)
SCHEMBL8054634 0.73 PDE7A (0.35)

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-6020379-A Position 7 substituted indenyl-3-acetic acid derivatives and amides thereof for the treatment of neoplasia CELL PATHWAYS, INC. (US) 2000-02-01 US disclosed