SCHEMBL5555831

SCHEMBL5555831

CCN(CC)c1ccc(C)c(C(c2ccc(F)cc2)c2cc(N(CC)CC)ccc2C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.44
ALDH1A1 P00352 4/20 0.42
MAPK1 P28482 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
THRB P10828 1/20 0.42
HTT P42858 1/20 0.42
GRK6 P43250 1/20 0.41
TSHR P16473 1/20 0.40
LMNA P02545 2/20 0.38
TERT O14746 1/20 0.38
CNR2 P34972 7/20 0.37
CNR1 P21554 3/20 0.37
ATM Q13315 2/20 0.36
IGLV6-57 P01721 1/20 0.36
GLA P06280 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36

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
SCHEMBL5007900 0.92 GRK6 (0.48) S100BALDH1A1MAPK1MAPTGRK6
SCHEMBL11520124 0.89 GRK6 (0.48) S100BALDH1A1MAPK1MAPTGRK6
SCHEMBL5555826 0.88 S100B (0.47) S100BALDH1A1MAPK1MAPTKDM4E
SCHEMBL5556669 0.86 S100B (0.46) S100BALDH1A1MAPK1MAPTKDM4E
SCHEMBL5097347 0.86 LMNA (0.49) S100BALDH1A1MAPK1MAPTKDM4E
SCHEMBL5554872 0.86 ALDH1A1 (0.44) S100BALDH1A1MAPTGRK6TSHR
SCHEMBL237533 0.86 S100B (0.45) S100BALDH1A1MAPK1MAPTKDM4E
SCHEMBL5667453 0.85 CNR2 (0.42) S100BALDH1A1MAPK1MAPTKDM4E
SCHEMBL81552 0.85 S100B (0.53) S100BALDH1A1MAPK1MAPTKDM4E
SCHEMBL5665654 0.84 S100B (0.41) S100BALDH1A1MAPK1MAPTGRK6

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
EP-1803034-A2 HOLOGRAPHIC STORAGE MEDIUM General Electric Company (US) 2007-07-04 EP disclosed
WO-2006044243-A2 HOLOGRAPHIC STORAGE MEDIUM GENERAL ELECTRIC COMPANY A CORPORATION OF THE STATE OF NEW YORK (US) 2006-04-27 WO disclosed
US-20060078802-A1 Holographic storage medium SABIC INNOVATIVE PLASTICS IP B.V. 2006-04-13 US disclosed