SCHEMBL17145397

SCHEMBL17145397

CCCCCCCCN(CCC)C(C)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.48
CA9 Q16790 4/20 0.48
CA1 P00915 3/20 0.48
CA2 P00918 2/20 0.48
MGLL Q99685 1/20 0.44
ZDHHC20 Q5W0Z9 2/20 0.43
ZDHHC2 Q9UIJ5 1/20 0.43
DNM1 Q05193 3/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
MMP8 P22894 1/20 0.42
CES2 O00748 3/20 0.41
CES1 P23141 3/20 0.41
TSHR P16473 3/20 0.40
MAPK1 P28482 1/20 0.40
PPARG P37231 3/20 0.39
PPARD Q03181 3/20 0.39
PPARA Q07869 3/20 0.39
GPR84 Q9NQS5 2/20 0.39

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
SCHEMBL22540532 1.00 CA12 (0.48) CA12CA9CA1CA2MGLL
SCHEMBL16564665 1.00 CA12 (0.48) CA12CA9CA1CA2MGLL
SCHEMBL5087415 1.00 CA12 (0.48) CA12CA9CA1CA2MGLL
SCHEMBL11506431 0.98 CA12 (0.46) CA12CA9CA1CA2MGLL
SCHEMBL8431297 0.95 CA12 (0.52) CA12CA9CA1CA2MGLL
SCHEMBL11343070 0.95 CA12 (0.52) CA12CA9CA1CA2MGLL
SCHEMBL4163491 0.95 CA12 (0.52) CA12CA9CA1CA2MGLL
SCHEMBL4155109 0.95 CA12 (0.52) CA12CA9CA1CA2MGLL
SCHEMBL2482724 0.95 CA12 (0.52) CA12CA9CA1CA2MGLL
SCHEMBL1742678 0.95 CA12 (0.52) CA12CA9CA1CA2MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9500775-B2 Actinically-crosslinkable amphiphilic prepolymers NOVARTIS AG (CH) 2016-11-22 US disclosed
US-9151873-B2 Actinically-crosslinkable amphiphilic prepolymers NOVARTIS AG (CH) 2015-10-06 US disclosed