SCHEMBL718640

SCHEMBL718640

CNC(C)C(=O)O.CN[C@@H](C)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.44
MME P08473 2/20 0.37
RAB9A P51151 1/20 0.37
ACE P12821 1/20 0.37
CPA1 P15085 1/20 0.37
ACE2 Q9BYF1 1/20 0.37
SLC7A5 Q01650 1/20 0.36
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
ADAMTS4 O75173 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
FOLH1 Q04609 1/20 0.32
NAALAD2 Q9Y3Q0 1/20 0.32

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
SCHEMBL21800791 1.00 TP53 (0.44) TP53MMERAB9AACECPA1
SCHEMBL164982 1.00
SCHEMBL23315 1.00
SCHEMBL21399 1.00
Potassium SCHEMBL373504 0.97
SCHEMBL1960968 0.97
Hydrochloric Acid SCHEMBL2971887 0.97
SCHEMBL1960962 0.97
SCHEMBL4412794 0.97
Hydrochloric Acid SCHEMBL1027048 0.97

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8269037-B2 Absorption medium for removing acid gases which comprises amino acid and acid promoter BASF SE (DE) 2012-09-18 US disclosed
US-20120051989-A1 REMOVAL OF ACID GASES FROM A FLUID FLOW BY MEANS OF REDUCED COABSORPTION OF HYDROCARBONS AND OXYGEN BASF SE (DE) 2012-03-01 US disclosed
US-8034166-B2 Carbon dioxide absorbent requiring less regeneration energy BASF SE (DE) 2011-10-11 US disclosed
US-20100186590-A1 ABSORPTION MEDIUM FOR REMOVING ACID GASES WHICH COMPRISES AMINO ACID AND ACID PROMOTER BASF SE (DE) 2010-07-29 US disclosed