SCHEMBL8274395

SCHEMBL8274395

NC(=O)c1cc(Cl)ccc1Oc1cccc(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.52
MRGPRX4 Q96LA9 1/20 0.51
CTNNB1 P35222 1/20 0.50
ICAM1 P05362 1/20 0.50
SELE P16581 1/20 0.50
VCAM1 P19320 1/20 0.50
LMNA P02545 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
EPAS1 Q99814 1/20 0.46
PARP1 P09874 1/20 0.46
MAPK10 P53779 1/20 0.46
BRD4 O60885 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
P2RX4 Q99571 1/20 0.45
PDE4B Q07343 1/20 0.45
HTR2A P28223 1/20 0.44
SLC6A4 P31645 1/20 0.44

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
SCHEMBL12505384 0.90 STK39 (0.51) PTGER4MRGPRX4CTNNB1ICAM1SELE
SCHEMBL12505440 0.89 CTNNB1 (0.65) MRGPRX4CTNNB1LMNAL3MBTL1BRD4
SCHEMBL29250434 0.88 L3MBTL1 (0.63) PTGER4MRGPRX4CTNNB1LMNAL3MBTL1
SCHEMBL30974584 0.88 L3MBTL1 (0.63) PTGER4MRGPRX4CTNNB1LMNAL3MBTL1
SCHEMBL30974621 0.88 CTNNB1 (0.68) CTNNB1ICAM1SELEVCAM1LMNA
SCHEMBL29251269 0.88 CTNNB1 (0.68) CTNNB1ICAM1SELEVCAM1LMNA
SCHEMBL30974617 0.87 CTNNB1 (0.51) PTGER4MRGPRX4CTNNB1LMNAL3MBTL1
SCHEMBL29251268 0.87 CTNNB1 (0.51) PTGER4MRGPRX4CTNNB1LMNAL3MBTL1
SCHEMBL4445314 0.86 MRGPRX4 (0.60) PTGER4MRGPRX4LMNAL3MBTL1CYP1A2
SCHEMBL4450385 0.82 PTGER4 (0.56) PTGER4MRGPRX4LMNAL3MBTL1EPAS1

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-2005102389-A9 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND EP4 RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2009-04-30 WO disclosed