SCHEMBL28601448

SCHEMBL28601448

CCN(CC)CC(N)C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 1/20 0.38
PLA2G2A P14555 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.33
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
PKM P14618 1/20 0.31
ALOX15 P16050 1/20 0.31
HTT P42858 2/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
NOS2 P35228 1/20 0.31
HPGD P15428 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30

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
SCHEMBL31517169 0.81 SLC1A2 (0.45) PLA2G1BPLA2G2ASLC1A3SLC1A2SLC1A1
SCHEMBL9033183 0.76 KMT2A (0.34) PLA2G1BPLA2G2AL3MBTL1CA1CA2
SCHEMBL19532380 0.76 L3MBTL1 (0.36) PLA2G1BPLA2G2AL3MBTL1CA1CA2
SCHEMBL4489176 0.76 L3MBTL1 (0.36) PLA2G1BPLA2G2AL3MBTL1CA1CA2
SCHEMBL21700150 0.75
SCHEMBL12639961 0.74 DPP7 (0.38) PLA2G1BPLA2G2AL3MBTL1PKM
SCHEMBL9752314 0.74 PLA2G1B (0.33) PLA2G1BPLA2G2A
Isobutyramide SCHEMBL22164865 0.72 ALOX15 (0.37) CA1CA2PKMALOX15HTT
SCHEMBL428684 0.71
SCHEMBL427318 0.71

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
CN-109517816-B Immobilized carbonic anhydrase, preparation thereof and application thereof in capturing carbon dioxide in flue gas 浙江工业大学 2021-07-27 CN claimed