SCHEMBL4777152

SCHEMBL4777152

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
PRKG1 Q13976 2/20 0.37
HRH3 Q9Y5N1 1/20 0.37
ROCK2 O75116 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PREP P48147 1/20 0.37

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
SCHEMBL4777150 1.00 POLB (0.41) POLBALDH1A1MEN1MAPK1KMT2A
SCHEMBL4725192 0.81 OPRD1 (0.46)
SCHEMBL4725189 0.81 OPRD1 (0.46)
SCHEMBL4776192 0.81 HSD17B2 (0.47) POLBALDH1A1MEN1MAPK1KMT2A
SCHEMBL4782508 0.81 OPRD1 (0.38) POLB
SCHEMBL4777088 0.78 POLB (0.48) POLBALDH1A1MEN1MAPK1KMT2A
SCHEMBL4725421 0.78 POLB (0.48) POLBALDH1A1MEN1MAPK1KMT2A
SCHEMBL4777083 0.78 POLB (0.48) POLBALDH1A1MEN1MAPK1KMT2A
SCHEMBL4725427 0.78 POLB (0.48) POLBALDH1A1MEN1MAPK1KMT2A
Hydrochloric Acid SCHEMBL4776178 0.74 SLC6A2 (0.50) ALDH1A1

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