SCHEMBL716843

SCHEMBL716843

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 3/20 0.41
TP53 P04637 1/20 0.40
SLC7A5 Q01650 1/20 0.39
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
PLA2G2A P14555 1/20 0.38
PLA2G5 P39877 1/20 0.38
KDM4E B2RXH2 1/20 0.37
FPR2 P25090 1/20 0.37
MMP2 P08253 3/20 0.36
MMP3 P08254 3/20 0.36
MMP13 P45452 3/20 0.36
ADAMTS4 O75173 2/20 0.36
MMP1 P03956 2/20 0.36
MMP7 P09237 2/20 0.36
MMP9 P14780 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CA1 P00915 1/20 0.35

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
SCHEMBL161931 1.00
SCHEMBL43660 1.00
SCHEMBL43661 1.00
Hydrochloric Acid SCHEMBL3947878 0.97 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1TP53SLC7A5LMNA
Hydrochloric Acid SCHEMBL6780690 0.97 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1TP53SLC7A5LMNA
Hydrochloric Acid SCHEMBL3947884 0.97 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1TP53SLC7A5LMNA
Valine SCHEMBL28845417 0.86 SLC7A5 (0.65) SMN1; SMN2ALDH1A1SLC7A5MMP2MMP3
Trifluoroacetic Acid SCHEMBL30405351 0.86 MMP1 (0.36) SMN1; SMN2ALDH1A1SLC7A5LMNAGAA
SCHEMBL5490834 0.83 TP53 (0.36) SMN1; SMN2ALDH1A1TP53SLC7A5LMNA
SCHEMBL5490842 0.83 TP53 (0.36) SMN1; SMN2ALDH1A1TP53SLC7A5LMNA

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