SCHEMBL2314830

SCHEMBL2314830

O=C(O)CC(CCc1ccccc1)NC(=O)Cc1ccsc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.51
POLB P06746 3/20 0.47
MAPT P10636 1/20 0.46
SIGMAR1 Q99720 1/20 0.45
CTSG P08311 1/20 0.44
CTRB1 P17538 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MME P08473 2/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL2314825 1.00 CNR2 (0.51) CNR2POLBMAPTSIGMAR1CTSG
SCHEMBL2320622 0.87 CNR2 (0.67) CNR2POLBCTSGCTRB1ALDH1A1
SCHEMBL2320615 0.87 CNR2 (0.67) CNR2POLBCTSGCTRB1ALDH1A1
SCHEMBL2316553 0.81 POLB (0.71) CNR2POLBSIGMAR1TDP1L3MBTL1
SCHEMBL2316546 0.81 POLB (0.71) CNR2POLBSIGMAR1TDP1L3MBTL1
SCHEMBL2316180 0.80 CNR2 (0.57) CNR2POLBMAPTCTSGCTRB1
SCHEMBL2316172 0.80 CNR2 (0.57) CNR2POLBMAPTCTSGCTRB1
SCHEMBL2312496 0.80 CNR2 (0.57) CNR2POLBMAPTCTSGCTRB1
SCHEMBL2316069 0.80 CNR2 (0.57) CNR2CTSGCTRB1ALDH1A1MME
SCHEMBL2316063 0.80 CNR2 (0.57) CNR2CTSGCTRB1ALDH1A1MME

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
WO-2011092284-A1 NOVEL AMINO ACID DERIVATIVES AND THEIR USE AS GPR43 RECEPTOR MODULATORS EUROSCREEN S.A. (BE) 2011-08-04 WO claimed
WO-2011092284-A1 NOVEL AMINO ACID DERIVATIVES AND THEIR USE AS GPR43 RECEPTOR MODULATORS EUROSCREEN S.A. (BE) 2011-08-04 WO disclosed