SCHEMBL13622903

SCHEMBL13622903

CCCCCCCCCCCCCN(CCCCCCCCCCCCC)C(=O)C(=O)N(CCCCCCCCCCCCC)CCCCCCCCCCCCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.54
CA1 P00915 3/20 0.54
CA9 Q16790 3/20 0.54
CA2 P00918 1/20 0.54
MGLL Q99685 1/20 0.48
DNM1 Q05193 3/20 0.48
ZDHHC20 Q5W0Z9 2/20 0.47
ZDHHC2 Q9UIJ5 1/20 0.47
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP3 P08254 1/20 0.46
MMP8 P22894 1/20 0.46
CES2 O00748 3/20 0.46
CES1 P23141 3/20 0.46
PPARG P37231 5/20 0.44
PPARD Q03181 5/20 0.44
PPARA Q07869 5/20 0.44
HDAC11 Q96DB2 4/20 0.44
TSHR P16473 3/20 0.44
GPR84 Q9NQS5 3/20 0.44

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
SCHEMBL9871116 0.89 CA12 (0.61) CA12CA1CA9CA2MMP1
SCHEMBL28945054 0.89 CA12 (0.45) CA12CA1CA9CA2MGLL
SCHEMBL17226472 0.88 CA12 (0.48) CA12CA1CA9CA2MGLL
SCHEMBL17226465 0.88 CA12 (0.48) CA12CA1CA9CA2MGLL
SCHEMBL28006021 0.86 CA12 (0.47) CA12CA1CA9CA2MGLL
SCHEMBL9060632 0.86 CA12 (0.47) CA12CA1CA9CA2MGLL
SCHEMBL27986087 0.86 CA12 (0.47) CA12CA1CA9CA2MGLL
SCHEMBL3077808 0.86 CA12 (0.47) CA12CA1CA9CA2MGLL
SCHEMBL28733088 0.86 CA12 (0.47) CA12CA1CA9CA2MGLL
SCHEMBL28006317 0.86 CA12 (0.47) CA12CA1CA9CA2MGLL

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
WO-2009135813-A1 DEGRADABLE MATERIAL BASF SE (DE) 2009-11-12 WO disclosed