SCHEMBL7587617

SCHEMBL7587617

CCCCCCCCCCN1CCN(C(=O)OC(C)(C)C)CC1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 3/20 0.44
CNR2 P34972 1/20 0.43
TLR8 Q9NR97 1/20 0.39
NR1H2 P55055 2/20 0.38
GBA1 P04062 1/20 0.38
P2RX7 Q99572 1/20 0.38
ALDH1A1 P00352 2/20 0.37
ESR2 Q92731 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE7A Q13946 1/20 0.37
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PARP1 P09874 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
ADORA1 P30542 1/20 0.36

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
SCHEMBL24072420 1.00 PLA2G2A (0.44) PLA2G2ACNR2TLR8NR1H2GBA1
SCHEMBL1583540 0.95 CNR2 (0.40) PLA2G2ACNR2TLR8NR1H2P2RX7
SCHEMBL1583253 0.89 P2RX7 (0.46) CNR2NR1H2P2RX7ALDH1A1ESR2
SCHEMBL22692273 0.88 NR1H2 (0.38) PLA2G2ACNR2NR1H2ALDH1A1ESR2
SCHEMBL29646565 0.87 NR1H2 (0.39) CNR2NR1H2ALDH1A1ESR2USP2
SCHEMBL18205300 0.85 NR1H2 (0.39) NR1H2ALDH1A1ESR2USP2SMN1; SMN2
SCHEMBL7982635 0.85 NR1H2 (0.40) NR1H2ALDH1A1ESR2USP2SMN1; SMN2
SCHEMBL21520542 0.84 DDB1 (0.39) NR1H2ALDH1A1ESR2USP2SMN1; SMN2
SCHEMBL12523828 0.84 P2RX7 (0.43) NR1H2P2RX7ALDH1A1ESR2USP2
SCHEMBL4005175 0.83 NR1H2 (0.41) NR1H2ALDH1A1ESR2USP2SMN1; SMN2

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-1173424-A1 PYRIMIDINE COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 2002-01-23 EP disclosed
WO-2000066566-A1 PYRIMIDINE COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 2000-11-09 WO disclosed