SCHEMBL4618949

SCHEMBL4618949

O=C(NCCCC(O)CO)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.63
LMNA P02545 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
TGM2 P21980 1/20 0.56
KEAP1 Q14145 2/20 0.55
NFE2L2 Q16236 2/20 0.55
FOLH1 Q04609 3/20 0.54
SLC1A3 P43003 1/20 0.53
SLC1A1 P43005 1/20 0.53
DPP8 Q6V1X1 1/20 0.52
DPP7 Q9UHL4 1/20 0.52
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
ANPEP P15144 1/20 0.50

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
SCHEMBL22171710 0.96 HTT (0.62) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL734427 0.92 LMNA (0.61) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL735078 0.92 LMNA (0.61) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL590358 0.92 LMNA (0.61) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL17431706 0.88 HTT (0.62) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL6605706 0.87 HTT (0.68) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL3694578 0.85 TGM2 (0.60) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL3697605 0.85 TGM2 (0.60) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL24923326 0.85 HTT (0.62) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL6375258 0.85 HTT (0.62) HTTLMNASMN1; SMN2TGM2KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893767-A1 PROCESS FOR PRODUCING ATORVASTATIN, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AND INTERMEDIATES THEREOF Pfizer, Inc. (US) 2008-03-05 EP disclosed
WO-2006134482-A1 PROCESS FOR PRODUCING ATORVASTATIN, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AND INTERMEDIATES THEREOF PFIZER INC. (US) 2006-12-21 WO disclosed