SCHEMBL8087904

SCHEMBL8087904

NC(=O)CC(O)C(N)=O.[KH]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GMNN O75496 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
GLA P06280 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
CYP2C19 P33261 1/20 0.33
THPO P40225 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL18902875 0.97
SCHEMBL158299 0.97
SCHEMBL3056738 0.97
Ammonia Solution, Strong SCHEMBL27820138 0.94 LMNA (0.33) LMNASMN1; SMN2KDM4EGMNNUSP2
SCHEMBL31040601 0.94 LMNA (0.33) LMNASMN1; SMN2KDM4EGMNNUSP2
Succinic Acid SCHEMBL8578421 0.85 LMNA (0.43) LMNASMN1; SMN2KDM4EGABRR1SLC22A6
Glycine SCHEMBL9703259 0.85 GLRA1 (0.48) LMNASMN1; SMN2GABRR1SLC22A6
Glycine SCHEMBL9394864 0.85 GLRA1 (0.48) LMNASMN1; SMN2GABRR1SLC22A6
Ether SCHEMBL8376136 0.81 ALOX15 (0.36) ALDH1A1ALOX15
Acrylic Acid SCHEMBL29610169 0.81 LMNA (0.43) LMNASMN1; SMN2ALDH1A1ALOX15HSD17B10

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
JP-2000034260-A PRODUCTION OF MALIC ACID MONOAMIDES AND DETERGENT COMPOSITION CONTAINING THE SAME LION CORP 2000-02-02 JP disclosed