SCHEMBL14199728

SCHEMBL14199728

CC(=O)CN(CC(=O)O)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.35
LMNA P02545 2/20 0.35
EYA2 O00167 1/20 0.35
APP P05067 1/20 0.35
ACE P12821 1/20 0.35
SLC15A2 Q16348 1/20 0.35
ADRA1A P35348 2/20 0.33
TSHR P16473 2/20 0.33
CYP2C19 P33261 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HMGCR P04035 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
CHRM2 P08172 1/20 0.33
ADRA2A P08913 1/20 0.33
ALOX15 P16050 1/20 0.33
DRD1 P21728 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
DRD3 P35462 1/20 0.33

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
SCHEMBL783010 0.90 TDP1 (0.41) TDP1LMNAEYA2APPACE
SCHEMBL12981236 0.79 TDP1 (0.33) TDP1LMNAEYA2APPACE
SCHEMBL3871128 0.78 FFAR3 (0.36) TDP1LMNAEYA2APPACE
SCHEMBL12086358 0.78 ALDH1A1 (0.36) TDP1
SCHEMBL13023088 0.77 TDP1 (0.38) TDP1LMNAEYA2APPACE
SCHEMBL10197374 0.76 TDP1 (0.35) TDP1LMNAEYA2APPACE
SCHEMBL22291050 0.76 TDP1 (0.35) TDP1LMNAEYA2APPACE
SCHEMBL20119078 0.76 ALDH1A1 (0.31) TDP1
SCHEMBL9660711 0.74 TDP1 (0.41) TDP1LMNAEYA2APPACE
SCHEMBL6981274 0.73 CA12 (0.35) TDP1LMNAEYA2APPACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7355056-B2 Transfection agents CANJI, INC. (US) 2008-04-08 US disclosed