SCHEMBL5665653

SCHEMBL5665653

CCN(CC)c1ccc(C)c(C(c2ccc(SC(C)C)c(C)c2)c2cc(N(CC)CC)ccc2C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.37
CNR2 P34972 4/20 0.35
ALDH1A1 P00352 4/20 0.34
TSHR P16473 1/20 0.34
GRK6 P43250 1/20 0.33
TERT O14746 1/20 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
ATM Q13315 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 2/20 0.31
RAB9A P51151 1/20 0.31
S1PR1 P21453 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
SCHEMBL5665643 0.90 S100B (0.40) S100BCNR2ALDH1A1TSHRGRK6
SCHEMBL5007900 0.80 GRK6 (0.48) S100BCNR2ALDH1A1TSHRGRK6
SCHEMBL11520124 0.77 GRK6 (0.48) S100BCNR2ALDH1A1TSHRGRK6
SCHEMBL81552 0.77 S100B (0.53) S100BALDH1A1TSHRGRK6TERT
SCHEMBL5555831 0.76 S100B (0.44) S100BCNR2ALDH1A1TSHRGRK6
SCHEMBL5665654 0.76 S100B (0.41) S100BCNR2ALDH1A1TSHRGRK6
SCHEMBL5097347 0.75 LMNA (0.49) S100BCNR2ALDH1A1TSHRGRK6
SCHEMBL5556669 0.75 S100B (0.46) S100BCNR2ALDH1A1TSHRGRK6
SCHEMBL5554872 0.75 ALDH1A1 (0.44) S100BCNR2ALDH1A1TSHRGRK6
SCHEMBL237533 0.75 S100B (0.45) S100BCNR2ALDH1A1TSHRGRK6

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