SCHEMBL4777088

SCHEMBL4777088

COc1cccc(C(O)[C@@H]2CCCCN2C(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
HSD17B2 P37059 1/20 0.46
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
TSHR P16473 2/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
CHRNA1 P02708 1/20 0.42
CHRNG P07510 1/20 0.42
CHRNB1 P11230 1/20 0.42
CHRNB2 P17787 1/20 0.42
SLC6A2 P23975 1/20 0.42
CHRNB4 P30926 1/20 0.42

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 1.00 POLB (0.48) POLBHSD17B2ALDH1A1MEN1MAPK1
SCHEMBL4777083 1.00 POLB (0.48) POLBHSD17B2ALDH1A1MEN1MAPK1
SCHEMBL4725427 1.00 POLB (0.48) POLBHSD17B2ALDH1A1MEN1MAPK1
SCHEMBL4776192 0.96 HSD17B2 (0.47) POLBHSD17B2ALDH1A1MEN1MAPK1
SCHEMBL8220796 0.85 POLB (0.47) POLBHSD17B2MEN1KMT2ATSHR
SCHEMBL3443057 0.85 POLB (0.47) POLBHSD17B2MEN1KMT2ATSHR
SCHEMBL4777773 0.83 SPHK2 (0.50) POLBKMT2ASMN1; SMN2L3MBTL1
SCHEMBL4777767 0.83 SPHK2 (0.50) POLBKMT2ASMN1; SMN2L3MBTL1
SCHEMBL4725335 0.83 DRD2 (0.41)
SCHEMBL4778947 0.83 DRD2 (0.41)

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