SCHEMBL8480926

SCHEMBL8480926

OC(CCc1cccnc1)COc1cccc(-c2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.51
PRMT5 O14744 5/20 0.51
WDR77 Q9BQA1 5/20 0.51
GPR132 Q9UNW8 6/20 0.48
PTAFR P25105 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 2/20 0.43
CMKLR2 P46091 1/20 0.43
CMKLR1 Q99788 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
Oxalic Acid SCHEMBL8480955 0.96 EPHX1 (0.53) EPHX1PRMT5WDR77GPR132PTAFR
SCHEMBL8477406 0.93 GPR132 (0.50) EPHX1PRMT5WDR77GPR132PTAFR
SCHEMBL8553957 0.93 GPR132 (0.50) EPHX1PRMT5WDR77GPR132PTAFR
SCHEMBL8481421 0.89 MEN1 (0.52) GPR132PTAFRMEN1KMT2AMAPK1
SCHEMBL8109540 0.89 MEN1 (0.52) GPR132PTAFRMEN1KMT2AMAPK1
SCHEMBL8479732 0.89 MEN1 (0.52) GPR132PTAFRMEN1KMT2AMAPK1
SCHEMBL6949036 0.89 MEN1 (0.53) GPR132MEN1KMT2AMAPK1ALDH1A1
SCHEMBL8118686 0.88 PTAFR (0.56) PRMT5WDR77PTAFRMEN1KMT2A
SCHEMBL8482057 0.85 PRKCI (0.46) EPHX1PRMT5WDR77PTAFRMEN1
SCHEMBL8551987 0.85 PRKCI (0.46) EPHX1PRMT5WDR77PTAFRMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5977105-A Compounds ASTRA PHARMAEUTICALS LTD. (GB) 1999-11-02 US disclosed
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