SCHEMBL8118686

SCHEMBL8118686

COc1cccc(-c2ccc(OCC(O)CCc3cccnc3)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 3/20 0.56
CYP1A2 P05177 4/20 0.48
CYP3A4 P08684 4/20 0.48
CYP2D6 P10635 4/20 0.48
CYP2C19 P33261 4/20 0.48
HSD17B10 Q99714 4/20 0.48
CLK4 Q9HAZ1 4/20 0.48
ALDH1A1 P00352 3/20 0.48
LMNA P02545 3/20 0.48
MAPK1 P28482 3/20 0.48
USP2 O75604 1/20 0.48
CYP2C9 P11712 1/20 0.48
HIF1A Q16665 1/20 0.48
PTGDR Q13258 1/20 0.46
TSHR P16473 3/20 0.46
ALOX15 P16050 2/20 0.46
TP53 P04637 1/20 0.46
CYP11B2 P19099 3/20 0.46
CYP11B1 P15538 3/20 0.46
HTR1A P08908 1/20 0.46

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
SCHEMBL8481104 0.88 PTAFR (0.49) PTAFRALDH1A1LMNATP53NPC1
SCHEMBL8480926 0.88 EPHX1 (0.51) PTAFRALDH1A1MAPK1MEN1KMT2A
SCHEMBL8477406 0.88 GPR132 (0.50) PTAFRMAPK1MEN1KMT2APRMT5
SCHEMBL8553957 0.88 GPR132 (0.50) PTAFRMAPK1MEN1KMT2APRMT5
SCHEMBL8479935 0.87 PTAFR (0.49) PTAFRCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL8482057 0.87 PRKCI (0.46) PTAFRCYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL8551987 0.87 PRKCI (0.46) PTAFRCYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL8477371 0.86 CYP19A1 (0.50) PTAFRCYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL8481421 0.86 MEN1 (0.52) PTAFRCYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL8479732 0.86 MEN1 (0.52) PTAFRCYP3A4CYP2D6CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1037889-A1 NOVEL COMPOUNDS AstraZeneca UK Limited (GB) 2000-09-27 EP disclosed
US-5977105-A Compounds ASTRA PHARMAEUTICALS LTD. (GB) 1999-11-02 US disclosed
WO-1999029686-A1 NOVEL COMPOUNDS ASTRAZENECA UK LIMITED (GB) 1999-06-17 WO 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