SCHEMBL8751590

SCHEMBL8751590

CCCCN(CCCC)C(=O)O.CCOC(=O)CC(C)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.45
▸ MGAM O43451 2/20 0.45
▸ SI P14410 2/20 0.45
▸ MGAM2 Q2M2H8 2/20 0.45
▸ CA12 O43570 2/20 0.39
▸ CA1 P00915 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ MMP1 P03956 1/20 0.37
▸ MMP2 P08253 1/20 0.37
▸ MMP3 P08254 1/20 0.37
▸ MMP8 P22894 1/20 0.37
▸ HDAC3 O15379 2/20 0.35
▸ HDAC1 Q13547 2/20 0.35
▸ HDAC2 Q92769 2/20 0.35
▸ HDAC6 Q9UBN7 2/20 0.35
▸ NCOR2 Q9Y618 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ TRPA1 O75762 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ KDM5A P29375 3/20 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
SCHEMBL8751643 0.84 CA12 (0.48) GAACA12CA1CA9MMP1
SCHEMBL10369219 0.79 GAA (0.48) GAAMGAMSIMGAM2CA12
SCHEMBL8751650 0.79 ALDH1A1 (0.44) CA12CA1CA9MMP1MMP2
Acetone SCHEMBL8751672 0.78 CA12 (0.54) GAACA12CA1CA9MMP1
Acetic Acid SCHEMBL7442100 0.78 GAA (0.67) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL751749 0.78 CA12 (0.58) GAACA12CA1CA9MMP1
SCHEMBL1330478 0.78 — —
SCHEMBL1331762 0.78 — —
SCHEMBL1871576 0.78 GAA (0.74) GAAMGAMSIMGAM2CA12
SCHEMBL1330988 0.78 — —

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
EP-0628542-B1 Process for the preparation of organic carbamates BAYER AG (DE) 1997-04-09 — — EP disclosed
EP-0628542-A1 Process for the preparation of organic carbonates BAYER AG (DE) 1994-12-14 — — EP disclosed
Send feedback