SCHEMBL7365728

SCHEMBL7365728

C[C@H](CN)CC(=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC15A1 P46059 2/20 0.57
ALDH1A1 P00352 4/20 0.54
MAPK1 P28482 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MMP9 P14780 1/20 0.47
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CDC25B P30305 1/20 0.46
ABCB1 P08183 1/20 0.44
TSHR P16473 1/20 0.44
CA12 O43570 1/20 0.43
LMNA P02545 2/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL3741541 0.85 ALDH1A1 (0.56) SLC15A1ALDH1A1MAPK1L3MBTL1MMP9
SCHEMBL10047602 0.85 ALDH1A1 (0.56) SLC15A1ALDH1A1MAPK1L3MBTL1MMP9
SCHEMBL14959576 0.85 ALDH1A1 (0.56) SLC15A1ALDH1A1MAPK1L3MBTL1MMP9
SCHEMBL20793265 0.85 ALDH1A1 (0.56) SLC15A1ALDH1A1MAPK1L3MBTL1MMP9
SCHEMBL19007853 0.85 ALDH1A1 (0.56) SLC15A1ALDH1A1MAPK1L3MBTL1MMP9
SCHEMBL7472092 0.84 ALDH1A1 (0.51) SLC15A1ALDH1A1MAPK1L3MBTL1SLC6A2
SCHEMBL84418 0.83 SLC15A1 (0.63) SLC15A1ALDH1A1MAPK1L3MBTL1MMP9
SCHEMBL6566591 0.83 SLC15A1 (0.63) SLC15A1ALDH1A1MAPK1L3MBTL1MMP9
SCHEMBL7207073 0.83 SLC15A1 (0.63) SLC15A1ALDH1A1MAPK1L3MBTL1MMP9
SCHEMBL111390 0.83 ALDH1A1 (0.61) SLC15A1ALDH1A1MAPK1L3MBTL1MMP9

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
EP-1257553-A1 PYRROLOPYRIMIDINONE DERIVATIVES, PROCESS OF PREPARATION AND USE SK Chemicals Co., Ltd. (KR) 2002-11-20 EP disclosed
WO-2001060825-A1 PYRROLOPYRIMIDINONE DERIVATIVES, PROCESS OF PREPARATION AND USE SK CHEMICALS CO., LTD. (KR) 2001-08-23 WO disclosed