SCHEMBL8875950

SCHEMBL8875950

O=C(O)CC(=O)C[C@H](O)CCNC(=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.57
LMNA P02545 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
SLC1A3 P43003 1/20 0.54
SLC1A1 P43005 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.50
FOLH1 Q04609 3/20 0.49
TGM2 P21980 1/20 0.48
KEAP1 Q14145 2/20 0.47
NFE2L2 Q16236 2/20 0.47
MAPT P10636 1/20 0.46
CTRB1 P17538 2/20 0.45
DPP8 Q6V1X1 1/20 0.45
DPP7 Q9UHL4 1/20 0.45
CASP1 P29466 1/20 0.44

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
SCHEMBL7775652 0.91 HTT (0.61) HTTLMNASMN1; SMN2SLC1A3SLC1A1
SCHEMBL7775648 0.91 HTT (0.61) HTTLMNASMN1; SMN2SLC1A3SLC1A1
SCHEMBL20530448 0.88 LMNA (0.55) HTTLMNASMN1; SMN2SLC1A3SLC1A1
SCHEMBL20530450 0.85 LMNA (0.57) HTTLMNASMN1; SMN2SLC1A3SLC1A1
SCHEMBL8877816 0.84 SLC1A3 (0.57) HTTLMNASMN1; SMN2SLC1A3SLC1A1
SCHEMBL735078 0.83 LMNA (0.61) HTTLMNASMN1; SMN2SLC1A3SLC1A1
SCHEMBL734427 0.83 LMNA (0.61) HTTLMNASMN1; SMN2SLC1A3SLC1A1
SCHEMBL590358 0.83 LMNA (0.61) HTTLMNASMN1; SMN2SLC1A3SLC1A1
SCHEMBL18667866 0.82 LMNA (0.60) HTTLMNASMN1; SMN2SLC1A3SLC1A1
SCHEMBL3701581 0.82 LMNA (0.60) HTTLMNASMN1; SMN2SLC1A3SLC1A1

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
JP-8198832-A None JP disclosed
US-5599954-A N-substituted-7-amino-5-hydroxy-3-oxoheptanoic acid derivatives and method for producing the same TAKASAGO INTERNATIONAL CORPORATION (JP) 1997-02-04 US disclosed
JP-H08198832-A N-SUBSTITUTED-7-AMINO-5-HYDROXY-3-OXOHEPTANOIC ACID DERIVATIVE AND ITS PRODUCTION TAKASAGO INTERNATL CORP 1996-08-06 JP disclosed