SCHEMBL5665646

SCHEMBL5665646

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.46
MAPT P10636 3/20 0.40
GAA P10253 2/20 0.40
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40
MCL1 Q07820 1/20 0.40
GRK6 P43250 1/20 0.38
TERT O14746 1/20 0.37
CNR2 P34972 2/20 0.36
ALDH1A1 P00352 5/20 0.36
TSHR P16473 2/20 0.36
CYP3A4 P08684 3/20 0.35
ATM Q13315 2/20 0.35
HPGD P15428 2/20 0.35
MAPK1 P28482 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
IGLV6-57 P01721 1/20 0.35
GLA P06280 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35

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
SCHEMBL11105809 0.89 S100B (0.47) S100BMAPTGAAPKMHTT
SCHEMBL10952039 0.89 S100B (0.53) S100BMAPTGAAPKMHTT
SCHEMBL12781700 0.89 S100B (0.56) S100BMAPTGAAPKMHTT
SCHEMBL658351 0.87 S100B (0.51) S100BMAPTGAAPKMHTT
SCHEMBL29371256 0.84 S100B (0.49) S100BMAPTGAAPKMHTT
SCHEMBL215745 0.84 S100B (0.49) S100BMAPTGAAPKMHTT
SCHEMBL10478174 0.84 MAPT (0.43) S100BMAPTGAAPKMHTT
SCHEMBL13804083 0.84 S100B (0.51) S100BMAPTGAAPKMHTT
SCHEMBL656825 0.84 S100B (0.51) S100BMAPTGAAPKMHTT
SCHEMBL5665643 0.84 S100B (0.40) S100BMAPTGAAPKMHTT

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