SCHEMBL11168752

SCHEMBL11168752

SC(S)(S)c1ccc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
MAPK1 P28482 1/20 0.37
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
BACE1 P56817 1/20 0.33
ALOX5 P09917 1/20 0.33
HDAC6 Q9UBN7 2/20 0.32
HDAC4 P56524 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HSD17B10 Q99714 2/20 0.32
HPGD P15428 1/20 0.32
BCL2L1 Q07817 1/20 0.32
CYP2A6 P11509 1/20 0.32
PLK1 P53350 1/20 0.31
ESR2 Q92731 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31

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
SCHEMBL29237804 0.79 FABP4 (0.41) ALDH1A1MAPTHPGDPLK1ENPP1
SCHEMBL608536 0.79 ALDH1A1 (0.50) ALDH1A1MAPK1LMNAMAPTHTT
SCHEMBL14390391 0.77 LMNA (0.48) ALDH1A1MAPK1LMNAMAPTHTT
SCHEMBL28710407 0.77 LMNA (0.48) ALDH1A1MAPK1LMNAMAPTHTT
Water SCHEMBL28835132 0.77 LMNA (0.48) ALDH1A1MAPK1LMNAMAPTHTT
Biphenyl SCHEMBL28876393 0.77 ALDH1A1 (0.56) ALDH1A1MAPK1LMNAMAPTHTT
SCHEMBL18536037 0.76 PDE4B (0.36) ALDH1A1LMNAMAPTHTTBACE1
SCHEMBL22839347 0.76 BACE1 (0.35) ALDH1A1MAPK1LMNAMAPTHTT
Water SCHEMBL28175107 0.74 LMNA (0.46) ALDH1A1MAPK1LMNAMAPTHTT
SCHEMBL31303989 0.71 LMNA (0.39) ALDH1A1MAPK1LMNAMAPTHTT

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-4399075-A Process for producing chlorinated phenoxytoluene derivatives ASAHI CHEMICAL COMPANY, LIMITED (JP) 1983-08-16 US disclosed