SCHEMBL9720322

SCHEMBL9720322

CCN(CN(CC)C(=O)O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP3 P08254 1/20 0.43
MMP8 P22894 1/20 0.43
ABCB11 O95342 2/20 0.43
HTT P42858 2/20 0.43
GSDMD P57764 2/20 0.43
CYP2E1 P05181 1/20 0.43
PTGS1 P23219 1/20 0.43
HTR1A P08908 2/20 0.41
FFAR3 O14843 1/20 0.39
ALDH1A1 P00352 5/20 0.38
ALDH2 P05091 2/20 0.38
CA12 O43570 3/20 0.37
CA1 P00915 3/20 0.37
CA9 Q16790 3/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
HPGD P15428 3/20 0.37

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
SCHEMBL5406160 0.90
SCHEMBL42300 0.90
SCHEMBL4917666 0.87
SCHEMBL674789 0.87
SCHEMBL8985023 0.87
SCHEMBL150702 0.87
Hydrochloric Acid SCHEMBL329224 0.87
SCHEMBL672336 0.87
SCHEMBL7155785 0.87
SCHEMBL640077 0.87

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-5126476-A Reaction of aromatic compound with alkylenebis(alkyl carbamate) in presence of acid catalyst and polar aprotic solv ent ARCO CHEMICAL TECHNOLOGY, L.P. (US) 1992-06-30 US disclosed