SCHEMBL6207947

SCHEMBL6207947

CCN(CC)CCSN(C)CC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
EYA2 O00167 1/20 0.38
APP P05067 1/20 0.38
ACE P12821 1/20 0.38
CHRM2 P08172 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM4 P08173 1/20 0.37
CHRM3 P20309 1/20 0.37
BLM P54132 2/20 0.37
PMP22 Q01453 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
ADRA2A P08913 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
DRD1 P21728 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL6207092 0.82 TDP1 (0.37) TDP1EYA2APPACECHRM2
SCHEMBL28009153 0.74
SCHEMBL1279809 0.74 BHMT (0.44) MAPTTDP1EYA2APPACE
SCHEMBL22571480 0.72 TDP1 (0.70) MAPTTDP1EYA2APPACE
SCHEMBL18251067 0.72 TDP1 (0.65) MAPTTDP1EYA2APPACE
SCHEMBL27092880 0.72 TDP1 (0.74) MAPTTDP1EYA2APPACE
SCHEMBL5521524 0.70 TDP1 (0.75) MAPTTDP1EYA2APPACE
SCHEMBL21533001 0.69 TDP1 (0.36) TDP1
SCHEMBL890300 0.69 MAPT (0.50) MAPTCHRM2CHRM1CHRM4CHRM3
SCHEMBL8988039 0.69 TDP1 (0.68) MAPTTDP1EYA2APPACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0979244-B1 NOVEL CYCLOSPORIN DERIVATIVES, PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA SA (FR) 2005-03-02 EP claimed
EP-0979244-B1 NOVEL CYCLOSPORIN DERIVATIVES, PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA SA (FR) 2005-03-02 EP disclosed
EP-0979244-A1 NOVEL CYCLOSPORIN DERIVATIVES, PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Aventis Pharma S.A. (FR) 2000-02-16 EP disclosed
WO-1998049193-A1 NOVEL CYCLOSPORIN DERIVATIVES, PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME RHONE-POULENC RORER S.A. (FR) 1998-11-05 WO disclosed