SCHEMBL2052708

SCHEMBL2052708

CCc1ccccc1-c1ccc(C(=O)N2CCCC2C(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
L3MBTL1 Q9Y468 2/20 0.58
FFAR2 O15552 1/20 0.57
CA2 P00918 1/20 0.53
NPSR1 Q6W5P4 2/20 0.52
TDP1 Q9NUW8 1/20 0.48
GYS1 P13807 6/20 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
SCHEMBL2052707 0.87 ALDH1A1 (0.56) ALDH1A1L3MBTL1CA2NPSR1GYS1
SCHEMBL24313493 0.85 ALDH1A1 (0.56) ALDH1A1L3MBTL1FFAR2CA2NPSR1
SCHEMBL13369767 0.83 FFAR2 (0.62) ALDH1A1L3MBTL1FFAR2
SCHEMBL5036076 0.83 CA2 (0.64) ALDH1A1L3MBTL1CA2NPSR1TDP1
SCHEMBL1750558 0.83 CA2 (0.64) ALDH1A1L3MBTL1CA2NPSR1TDP1
SCHEMBL13229 0.80 CA2 (0.67) ALDH1A1L3MBTL1CA2NPSR1TDP1
SCHEMBL28789388 0.80 CA2 (0.67) ALDH1A1L3MBTL1CA2NPSR1TDP1
SCHEMBL13230 0.80 CA2 (0.67) ALDH1A1L3MBTL1CA2NPSR1TDP1
SCHEMBL6787910 0.80 CA2 (0.75) ALDH1A1L3MBTL1CA2NPSR1TDP1
SCHEMBL5537767 0.80 CA2 (0.75) ALDH1A1L3MBTL1CA2NPSR1TDP1

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
WO-2011073376-A1 PYRROLIDINE OR THIAZOLIDINE CARBOXYLIC ACID DERIVATIVES, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERSAS AS AGONISTS OF G- PROTEIN COUPLED RECEPTOR 43 (GPR43) EUROSCREEN S.A. (BE) 2011-06-23 WO disclosed