SCHEMBL20053673

SCHEMBL20053673

CCCCCN(CC)C(=O)C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.48
CA1 P00915 4/20 0.48
CA9 Q16790 4/20 0.48
MGLL Q99685 1/20 0.46
MMP1 P03956 2/20 0.44
MMP2 P08253 2/20 0.44
MMP3 P08254 2/20 0.44
MMP8 P22894 2/20 0.44
CA2 P00918 2/20 0.41
ZDHHC20 Q5W0Z9 2/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38
LMNA P02545 1/20 0.37
HPGD P15428 2/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.36
ALDH1A1 P00352 1/20 0.35
DNM1 Q05193 2/20 0.34
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34

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
SCHEMBL23031982 0.91 CA12 (0.45) CA12CA1CA9MGLLMMP1
SCHEMBL20349292 0.89 CA12 (0.47) CA12CA1CA9MGLLMMP1
SCHEMBL11704187 0.89 CA12 (0.47) CA12CA1CA9MGLLMMP1
SCHEMBL13223516 0.86 MLYCD (0.40) CA12CA1CA9MGLLMMP1
SCHEMBL18384478 0.85 CA1 (0.52) CA12CA1CA9MMP1MMP2
SCHEMBL18701550 0.85 CA12 (0.44) CA12CA1CA9MMP1MMP2
SCHEMBL13223502 0.84 CA12 (0.39) CA12CA1CA9MGLLMMP1
SCHEMBL24288442 0.82 CA12 (0.41) CA12CA1CA9MGLLMMP1
SCHEMBL24288441 0.82 LMNA (0.43) CA12CA1CA9MGLLMMP1
SCHEMBL20349290 0.82 CA12 (0.41) CA12CA1CA9MGLLMMP1

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-9944600-B2 Piperidine derivatives for GPR119 agonist CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2018-04-17 US disclosed