SCHEMBL11210348

SCHEMBL11210348

CCN(CCCCN(CC)C(=O)O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.48
CA1 P00915 4/20 0.48
CA9 Q16790 4/20 0.48
LMNA P02545 3/20 0.46
MGLL Q99685 1/20 0.40
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ALDH2 P05091 1/20 0.39
MMP1 P03956 2/20 0.39
MMP2 P08253 2/20 0.39
MMP3 P08254 2/20 0.39
MMP8 P22894 2/20 0.39
CA2 P00918 2/20 0.38
MAPT P10636 1/20 0.35
CNR2 P34972 1/20 0.35
KDM5A P29375 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
ZDHHC20 Q5W0Z9 1/20 0.34
TSHR P16473 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
SCHEMBL30957353 0.97 CA12 (0.46) CA12CA1CA9LMNAMGLL
SCHEMBL10928119 0.91 MGLL (0.53) CA12CA1CA9MGLLALDH1A1
SCHEMBL1759227 0.91 MGLL (0.53) CA12CA1CA9MGLLALDH1A1
SCHEMBL969160 0.90 CA12 (0.61) CA12CA1CA9LMNAMGLL
SCHEMBL23796993 0.89 CA12 (0.41) CA12CA1CA9LMNAMGLL
Hydrochloric Acid SCHEMBL11239450 0.89 MGLL (0.52) CA12CA1CA9MGLLALDH1A1
Hydrochloric Acid SCHEMBL10823198 0.87 CA12 (0.59) CA12CA1CA9LMNAMGLL
SCHEMBL20876137 0.87 CA12 (0.43) CA12CA1CA9LMNAMGLL
SCHEMBL20876037 0.85 CA12 (0.42) CA12CA1CA9LMNAMGLL
SCHEMBL11765090 0.85 CA12 (0.42) CA12CA1CA9LMNAMGLL

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
EP-0092738-A1 Process for the continuous thermal decomposition of carbamic-acid esters BAYER AG (DE) 1983-11-02 EP disclosed