SCHEMBL7775652

SCHEMBL7775652

O=C(O)CC(O)CCNC(=O)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.61
LMNA P02545 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
SLC1A3 P43003 1/20 0.57
SLC1A1 P43005 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.53
FOLH1 Q04609 3/20 0.52
TGM2 P21980 1/20 0.51
CASP1 P29466 3/20 0.50
KEAP1 Q14145 2/20 0.50
NFE2L2 Q16236 2/20 0.50
MAPT P10636 1/20 0.49
MMP12 P39900 1/20 0.49
ANPEP P15144 1/20 0.48
KAT2B Q92831 1/20 0.48

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
SCHEMBL7775648 1.00 HTT (0.61) HTTLMNASMN1; SMN2SLC1A3SLC1A1
SCHEMBL8877816 0.93 SLC1A3 (0.57) HTTLMNASMN1; SMN2SLC1A3SLC1A1
SCHEMBL9772192 0.91 HTT (0.64) HTTLMNASMN1; SMN2FOLH1TGM2
SCHEMBL8875950 0.91 HTT (0.57) HTTLMNASMN1; SMN2SLC1A3SLC1A1
SCHEMBL9772191 0.91 HTT (0.64) HTTLMNASMN1; SMN2FOLH1TGM2
SCHEMBL20530450 0.89 LMNA (0.57) HTTLMNASMN1; SMN2SLC1A3SLC1A1
SCHEMBL735078 0.87 LMNA (0.61) HTTLMNASMN1; SMN2SLC1A3SLC1A1
SCHEMBL590358 0.87 LMNA (0.61) HTTLMNASMN1; SMN2SLC1A3SLC1A1
SCHEMBL734427 0.87 LMNA (0.61) HTTLMNASMN1; SMN2SLC1A3SLC1A1
SCHEMBL20530448 0.87 LMNA (0.55) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0737751-B1 Method for producing optically active ester of gamma-substituted-beta-hydroxybutyric acid MITSUBISHI CHEM CORP (JP) 2001-08-01 EP disclosed
US-5700670-A TREATING MICROORGANISM CULTURE WITH ALKYL ESTER OF GAMMA-SUBSTITUTED ACETOACETIC ACID FOR STEREOSPECIFIC REDUCTION OF CARBONYL GROUP TO HYDROXYL GROUP YIELDS GAMMA-SUBSTITUTED 3-HYDROXYBUTYRIC ACID MITSUBISHI CHEMICAL CORPORATION (JP) 1997-12-23 US disclosed
EP-0737751-A2 Method for producing optically active ester of gamma-substituted-beta-hydroxybutyric acid Mitsubishi Chemical Corporation (JP) 1996-10-16 EP disclosed
US-4992544-A Intermediates for b-lactam antibiotics and b-lactamase inhibitor UNIVERSITY OF NOTRE DAME DU LAC (US) 1991-02-12 US disclosed