SCHEMBL5974497

SCHEMBL5974497

CC(=O)NC(CCC(O)CN)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
THRB P10828 1/20 0.50
ALOX15 P16050 1/20 0.50
NFKB1 P19838 1/20 0.50
PTGS2 P35354 1/20 0.50
THPO P40225 1/20 0.50
RECQL P46063 1/20 0.50
BLM P54132 1/20 0.50
ALDH1A1 P00352 1/20 0.48
GNPAT O15228 2/20 0.45
GABRR1 P24046 2/20 0.38
LMNA P02545 1/20 0.38
FOLH1 Q04609 5/20 0.37
RIMKLA Q8IXN7 1/20 0.37
NAALAD2 Q9Y3Q0 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
SIRT6 Q8N6T7 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
SCHEMBL468724 1.00 SMN1; SMN2 (0.50) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL5974504 1.00 SMN1; SMN2 (0.50) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL10792631 0.82 KDM4E (0.35) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL10792625 0.82 KDM4E (0.35) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL648867 0.80 SMN1; SMN2 (0.57) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL9800504 0.80 SMN1; SMN2 (0.57) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL648868 0.80 SMN1; SMN2 (0.57) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL28243836 0.80 MAPT (0.61) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL11134229 0.80 MAPT (0.61) SMN1; SMN2KDM4EMAPTTHRBALOX15
SCHEMBL24629250 0.79 ALDH1A1 (0.59) SMN1; SMN2KDM4EMAPTTHRBALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3039068-B1 MOISTURE CURABLE COMPOUND WITH AMINO ACIDS MOMENTIVE PERFORMANCE MAT INC (US) 2020-12-16 EP claimed
EP-1664793-A1 NEUROTOXIC AMINO ACID OR NEUROTOXIC DERIVATIVE THEREOF ASSOCIATED WITH NEUROLOGICAL DISORDERS Institute For Ethnomedicine (US) 2006-06-07 EP disclosed
WO-2005019830-A1 NEUROTOXIC AMINO ACID OR NEUROTOXIC DERIVATIVE THEREOF ASSOCIATED WITH NEUROLOGICAL DISORDERS INSTITUTE FOR ETHNOMEDICINE (US) 2005-03-03 WO disclosed