SCHEMBL8553957

SCHEMBL8553957

OC(CCc1cccnc1)COc1ccc(-c2cccc(OCc3ccccc3)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 8/20 0.50
MMP12 P39900 1/20 0.50
MAPK1 P28482 2/20 0.48
PRMT5 O14744 1/20 0.46
WDR77 Q9BQA1 1/20 0.46
SMPD1 P17405 1/20 0.45
EPHX1 P07099 1/20 0.45
CMKLR2 P46091 1/20 0.45
CMKLR1 Q99788 1/20 0.45
PTGER4 P35408 1/20 0.44
PTGER3 P43115 1/20 0.44
FFAR1 O14842 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 1/20 0.44
PTAFR P25105 1/20 0.44
MRGPRX4 Q96LA9 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
SCHEMBL8477406 1.00 GPR132 (0.50) GPR132MMP12MAPK1PRMT5WDR77
SCHEMBL8480926 0.93 EPHX1 (0.51) GPR132MAPK1PRMT5WDR77EPHX1
SCHEMBL8109540 0.89 MEN1 (0.52) GPR132MMP12MAPK1MEN1KMT2A
SCHEMBL8479732 0.89 MEN1 (0.52) GPR132MMP12MAPK1MEN1KMT2A
SCHEMBL8481421 0.89 MEN1 (0.52) GPR132MMP12MAPK1MEN1KMT2A
SCHEMBL8479493 0.89 MAPK1 (0.54) GPR132MMP12MAPK1PRMT5WDR77
Oxalic Acid SCHEMBL8480955 0.89 EPHX1 (0.53) GPR132PRMT5WDR77EPHX1CMKLR2
SCHEMBL8118686 0.88 PTAFR (0.56) MAPK1PRMT5WDR77MEN1KMT2A
SCHEMBL8479935 0.87 PTAFR (0.49) GPR132MMP12PRMT5WDR77EPHX1
SCHEMBL8477139 0.87 ALOX5 (0.49) GPR132MMP12MAPK1MEN1KMT2A

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-0865431-A2 COMPOUNDS Astra Pharmaceuticals Limited (GB) 1998-09-23 EP disclosed
WO-1997020815-A1 COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1997-06-12 WO disclosed