SCHEMBL4776192

SCHEMBL4776192

COc1cccc([C@H](O)[C@@H]2CCCN2C(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.47
POLB P06746 1/20 0.46
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
HRH3 Q9Y5N1 1/20 0.41
ROCK2 O75116 1/20 0.41
PRKG1 Q13976 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PREP P48147 1/20 0.41
FABP4 P15090 1/20 0.41

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
SCHEMBL4725421 0.96 POLB (0.48) HSD17B2POLBALDH1A1L3MBTL1MEN1
SCHEMBL4725427 0.96 POLB (0.48) HSD17B2POLBALDH1A1L3MBTL1MEN1
SCHEMBL4777083 0.96 POLB (0.48) HSD17B2POLBALDH1A1L3MBTL1MEN1
SCHEMBL4777088 0.96 POLB (0.48) HSD17B2POLBALDH1A1L3MBTL1MEN1
SCHEMBL8220797 0.85 USP30 (0.48) HSD17B2POLBALDH1A1L3MBTL1MEN1
SCHEMBL8220796 0.82 POLB (0.47) HSD17B2POLBL3MBTL1MEN1KMT2A
SCHEMBL3443057 0.82 POLB (0.47) HSD17B2POLBL3MBTL1MEN1KMT2A
SCHEMBL5177302 0.81 DPP4 (0.46) ALDH1A1FABP4
SCHEMBL3540440 0.81 DPP4 (0.46) ALDH1A1FABP4
SCHEMBL4777152 0.81 POLB (0.41) POLBALDH1A1MEN1MAPK1KMT2A

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-2008018639-A2 GLYCINE TRANSPORTER INHIBITOR TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-02-14 WO disclosed