SCHEMBL5665643

SCHEMBL5665643

CCN(CC)c1ccc(C(c2ccc(SC(C)C)c(C)c2)c2ccc(N(CC)CC)cc2C)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.40
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
MCL1 Q07820 1/20 0.36
GRK6 P43250 1/20 0.33
CNR2 P34972 1/20 0.32
TERT O14746 1/20 0.32
ALDH1A1 P00352 2/20 0.32
ATM Q13315 2/20 0.32
IGLV6-57 P01721 1/20 0.32
GLA P06280 1/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL5665653 0.90 S100B (0.37) S100BMAPTGRK6CNR2TERT
SCHEMBL5665646 0.84 S100B (0.46) S100BGAAMAPTPKMHTT
SCHEMBL10952039 0.82 S100B (0.53) S100BGAAMAPTPKMHTT
SCHEMBL658351 0.80 S100B (0.51) S100BGAAMAPTPKMHTT
SCHEMBL11105809 0.79 S100B (0.47) S100BGAAMAPTPKMHTT
SCHEMBL29371256 0.78 S100B (0.49) S100BGAAMAPTPKMHTT
SCHEMBL215745 0.78 S100B (0.49) S100BGAAMAPTPKMHTT
SCHEMBL13804083 0.77 S100B (0.51) S100BGAAMAPTPKMHTT
SCHEMBL656825 0.77 S100B (0.51) S100BGAAMAPTPKMHTT
SCHEMBL81551 0.77 S100B (0.58) S100BGAAMAPTPKMHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060078802-A1 Holographic storage medium SABIC INNOVATIVE PLASTICS IP B.V. 2006-04-13 US disclosed
US-4332884-A USING A DIOXIME CHELATING AGENT RICOH CO., LTD. (JP) 1982-06-01 US disclosed
US-4306014-A AMMONIA OR AMINES SUPPRESS THE COLOR-FORMING REACTION SYSTEM RICOH CO., LTD. (JP) 1981-12-15 US disclosed