SCHEMBL13984089

SCHEMBL13984089

COC(=O)Cc1c(C(=O)OC)sc(C)c1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
ADORA2A P29274 1/20 0.38
RXFP1 Q9HBX9 2/20 0.37
PLA2G1B P04054 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
ALDH1A1 P00352 8/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
HSD17B10 Q99714 5/20 0.36
MAPT P10636 4/20 0.36
HPGD P15428 4/20 0.36
TP53 P04637 2/20 0.36
MAPK1 P28482 4/20 0.36
TSHR P16473 3/20 0.36
USP2 O75604 2/20 0.36
KDM4E B2RXH2 2/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
GAA P10253 1/20 0.35

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
SCHEMBL1922086 0.84 L3MBTL1 (0.56) L3MBTL1ADORA2AALDH1A1KMT2AMEN1
SCHEMBL18430411 0.82 L3MBTL1 (0.54) L3MBTL1RXFP1ALDH1A1KMT2AMEN1
SCHEMBL516264 0.79 PLA2G1B (0.41) L3MBTL1ADORA2ARXFP1PLA2G1BATG4B
SCHEMBL1922260 0.78 PLA2G1B (0.43) L3MBTL1ADORA2ARXFP1PLA2G1BATG4B
SCHEMBL18430437 0.77 ALDH1A1 (0.50) ADORA2ARXFP1PLA2G1BATG4BALDH1A1
SCHEMBL1289601 0.77 L3MBTL1 (0.41) L3MBTL1ADORA2ARXFP1PLA2G1BATG4B
SCHEMBL1923354 0.75 L3MBTL1 (0.40) L3MBTL1ADORA2ARXFP1PLA2G1BATG4B
SCHEMBL27469752 0.74 KMT2A (0.40) L3MBTL1ADORA2ARXFP1PLA2G1BATG4B
SCHEMBL7979698 0.74 ALDH1A1 (0.46) L3MBTL1ADORA2ARXFP1ALDH1A1KMT2A
SCHEMBL6555490 0.74 L3MBTL1 (0.48) L3MBTL1ADORA2AALDH1A1KMT2AMEN1

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
US-7462714-B2 Process for the industrial synthesis of the methyl diester of 5-amino-3-carboxymethyl-4-cyano-2-thiophenecarboxylic acid, and application to the synthesis of bivalent salts of ranelic acid and their hydrates LES LABORATOIRES SERVIER (FR) 2008-12-09 US disclosed
US-7238815-B2 Process for the industrial synthesis of the methyl diester of 5-amino-3-carboxymethyl-4-cyano-2-thiophenecarboxylic acid, and application to the synthesis of bivalent salts of ranelic acid and their hydrates LES LABORATOIRES SERVIER (FR) 2007-07-03 US disclosed