SCHEMBL11701550

SCHEMBL11701550

Fc1ccc(C=CCS)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 7/20 0.50
HSD11B1 P28845 1/20 0.45
APP P05067 1/20 0.43
PTGS1 P23219 1/20 0.43
IDO1 P14902 1/20 0.42
FBP1 P09467 1/20 0.42
TNFRSF1A P19438 1/20 0.41
GRIK1 P39086 1/20 0.40
GRIK2 Q13002 1/20 0.40
TRPA1 O75762 1/20 0.40
NQO2 P16083 1/20 0.39

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
SCHEMBL11701545 1.00 NFE2L2 (0.50) NFE2L2HSD11B1APPPTGS1IDO1
SCHEMBL17862090 0.85 NFE2L2 (0.59) NFE2L2HSD11B1APPPTGS1FBP1
SCHEMBL73226 0.76 NFE2L2 (0.50) NFE2L2HSD11B1APPPTGS1FBP1
SCHEMBL9353695 0.76 NFE2L2 (0.54) NFE2L2HSD11B1APPPTGS1FBP1
SCHEMBL8548176 0.76 NFE2L2 (0.50) NFE2L2HSD11B1APPPTGS1FBP1
SCHEMBL7428113 0.76 NFE2L2 (0.50) NFE2L2HSD11B1APPPTGS1FBP1
SCHEMBL3885395 0.76 NFE2L2 (0.50) NFE2L2HSD11B1APPPTGS1FBP1
SCHEMBL10423140 0.76 NFE2L2 (0.50) NFE2L2HSD11B1APPPTGS1FBP1
SCHEMBL2451125 0.76 NFE2L2 (0.50) NFE2L2HSD11B1APPPTGS1FBP1
SCHEMBL11699628 0.76 AHR (0.48) NFE2L2PTGS1IDO1FBP1GRIK1

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-4055652-A 1-[β(R-thio)phenethyl]imidazoles and derivatives thereof SYNTEX (U.S.A.) INC. (US) 1977-10-25 US disclosed