SCHEMBL7659903

SCHEMBL7659903

CC(=O)O[C@H]1CCN(C(=O)OCc2ccccc2)[C@@H]1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
CTSK P43235 2/20 0.48
CTSB P07858 1/20 0.48
CTSS P25774 1/20 0.48
PREP P48147 1/20 0.47
ACE2 Q9BYF1 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP2C19 P33261 1/20 0.46
ELANE P08246 1/20 0.46
AGTR2 P50052 2/20 0.46

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
SCHEMBL819239 0.88 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9APREPCYP2C19
SCHEMBL23485195 0.88 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9APREPCYP2C19
SCHEMBL820285 0.88 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9APREPCYP2C19
SCHEMBL8728752 0.84 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9APREPCYP2C19
SCHEMBL21874110 0.82 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9ACYP2C19ELANE
SCHEMBL5740609 0.82 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9APREPCYP2C19
SCHEMBL29302842 0.82 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9APREPCYP2C19
SCHEMBL29302825 0.82 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9APREPCYP2C19
SCHEMBL14371889 0.82 KLK7 (0.48) SMN1; SMN2NPC1RAB9AALDH1A1ELANE
SCHEMBL820518 0.82 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9APREPCYP2C19

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-1237862-A1 SUCCINATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE AND PREPARATION Versicor, Inc. (US) 2002-09-11 EP disclosed
WO-2001044179-A1 NOVEL SUCCINATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE AND PREPARATION VERSICOR, INC. (US) 2001-06-21 WO disclosed