SCHEMBL8877065

SCHEMBL8877065

CC[C@@H](O)C(NC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 1/20 0.58
PPARG P37231 3/20 0.55
PPARA Q07869 2/20 0.55
ALDH1A1 P00352 2/20 0.54
RAB9A P51151 2/20 0.54
CA2 P00918 5/20 0.49
CA1 P00915 3/20 0.49
PRSS1 P07477 1/20 0.49
CTSG P08311 1/20 0.49
CTRB1 P17538 1/20 0.49
CMA1 P23946 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HPGD P15428 1/20 0.46
CTSL P07711 1/20 0.46
CNR2 P34972 1/20 0.46
KMT2A Q03164 1/20 0.44
NPC1 O15118 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
SCHEMBL10463610 1.00 SLC1A2 (0.58) SLC1A2PPARGPPARAALDH1A1RAB9A
SCHEMBL403934 0.94 RAB9A (0.64) SLC1A2PPARGPPARAALDH1A1RAB9A
SCHEMBL21274409 0.85 SLC1A2 (0.60) SLC1A2PPARGPPARAALDH1A1RAB9A
SCHEMBL21274408 0.85 SLC1A2 (0.60) SLC1A2PPARGPPARAALDH1A1RAB9A
SCHEMBL2377937 0.83 CA2 (0.68) SLC1A2PPARGPPARAALDH1A1RAB9A
SCHEMBL10664012 0.83 CA2 (0.68) SLC1A2PPARGPPARAALDH1A1RAB9A
SCHEMBL2377934 0.83 CA2 (0.68) SLC1A2PPARGPPARAALDH1A1RAB9A
SCHEMBL22687175 0.83 CA2 (0.68) SLC1A2PPARGPPARAALDH1A1RAB9A
SCHEMBL3021688 0.82 NPSR1 (0.49) SLC1A2PPARGPPARAALDH1A1RAB9A
SCHEMBL3927034 0.82 SLC1A2 (0.57) SLC1A2PPARGPPARAALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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