SCHEMBL6471109

SCHEMBL6471109

C=COC(=O)N(C=C)CCC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABCC4 O15439 1/20 0.31
MAPT P10636 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
BLM P54132 1/20 0.31
SLC6A3 Q01959 1/20 0.31
MEN1 O00255 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL284992 0.77 MAPT (0.37) ABCC4MAPTSLC6A2SLC6A4BLM
SCHEMBL22061601 0.67 HDAC6 (0.36) ABCC4MAPTSLC6A2SLC6A4BLM
SCHEMBL9167907 0.67 TDP1 (0.33) SLC6A2SLC6A4BLMSLC6A3TSHR
SCHEMBL329073 0.66 LMNA (0.45) ABCC4MAPTSLC6A2SLC6A4BLM
Succinic Acid SCHEMBL9719479 0.66 LMNA (0.45) ABCC4MAPTSLC6A2SLC6A4BLM
Succinic Acid SCHEMBL4123721 0.64 LMNA (0.46) ABCC4MAPTSLC6A2SLC6A4BLM
Succinic Acid SCHEMBL20555605 0.64 LMNA (0.43) ABCC4MAPTSLC6A2SLC6A4BLM
SCHEMBL328721 0.64 CHRNB2 (0.32)
SCHEMBL13675192 0.64 FAAH (0.32) TSHR
SCHEMBL35295 0.64 ECE1 (0.41) ABCC4MAPTSLC6A2SLC6A4BLM

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-20050153055-A1 Surface treatment utilizing supercritical fluid BAUSCH & LOMB INCORPORATED (US) 2005-07-14 US disclosed