SCHEMBL22669673

SCHEMBL22669673

C=C/C=C\C(=C/C)S(C)(C)c1ccccc1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ TLR9 Q9NR96 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
SCHEMBL22669693 0.81 ALDH1A1 (0.34) ALDH1A1TP53HTTHSD17B10TLR9
SCHEMBL18466103 0.81 ALDH1A1 (0.44) ALDH1A1TP53HTTHSD17B10TLR9
SCHEMBL21925833 0.78 — —
SCHEMBL24495846 0.73 TLR9 (0.31) TLR9
SCHEMBL23958391 0.71 KEAP1 (0.43) ALDH1A1
SCHEMBL18855976 0.70 TLR9 (0.37) ALDH1A1TP53HTTHSD17B10TLR9
SCHEMBL21537934 0.66 — —
SCHEMBL10331759 0.66 — —
SCHEMBL22941715 0.66 — —
SCHEMBL18627800 0.66 AKT1 (0.39) ALDH1A1HSD17B10

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-20200362113-A1 RESIN COMPOSITION TORAY INDUSTRIES, INC. (JP) 2020-11-19 — — US disclosed
Send feedback