SCHEMBL13410232

SCHEMBL13410232

COCCOCCOCCc1ccc(-c2ccc(-c3ccc(C)s3)s2)s1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.39
PRMT6 Q96LA8 1/20 0.33
RPS6KB2 Q9UBS0 1/20 0.32
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
GFER P55789 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CHEK1 O14757 1/20 0.30

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
SCHEMBL29309868 0.92 DPP4 (0.44) DPP4RPS6KB2CHEK1
SCHEMBL13410313 0.88 DPP4 (0.43) DPP4PRMT6NPC1ALDH1A1MAPT
SCHEMBL13410305 0.88 DPP4 (0.43) DPP4PRMT6NPC1ALDH1A1MAPT
SCHEMBL14942238 0.86 DPP4 (0.33) DPP4PRMT6RPS6KB2
SCHEMBL13410234 0.86 DPP4 (0.41) DPP4PRMT6NPC1ALDH1A1MAPT
SCHEMBL13444698 0.81 DPP4 (0.39) DPP4
SCHEMBL28817973 0.81 TSHR (0.34) HSD17B10
SCHEMBL29309897 0.81 DPP4 (0.49) DPP4RPS6KB2ALDH1A1MAPT
SCHEMBL13444697 0.80 DPP4 (0.40) DPP4CHEK1
SCHEMBL15550174 0.79 DPP4 (0.61) DPP4NPC1ALDH1A1MAPTHSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100102299-A1 ORGANIC SEMICONDUCTOR COMPOSITE, ORGANIC TRANSISTOR MATERIAL AND ORGANIC FIELD EFFECT TRANSISTOR TORAY INDUSTRIES, INC. (JP) 2010-04-29 US disclosed
US-20100102299-A1 ORGANIC SEMICONDUCTOR COMPOSITE, ORGANIC TRANSISTOR MATERIAL AND ORGANIC FIELD EFFECT TRANSISTOR TORAY INDUSTRIES, INC. (JP) 2010-04-29 US disclosed