SCHEMBL8484229

SCHEMBL8484229

N#Cc1ccc(-c2ccc(OC[C@H](O)CCc3cccnc3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
HPGD P15428 3/20 0.51
CYP11B2 P19099 4/20 0.48
KDM4E B2RXH2 3/20 0.47
MAPT P10636 1/20 0.47
HIF1A Q16665 1/20 0.47
MMP12 P39900 1/20 0.45
MMP13 P45452 1/20 0.45
CYP19A1 P11511 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP11B1 P15538 4/20 0.43
AGER Q15109 1/20 0.42
AR P10275 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
ABCB1 P08183 1/20 0.41

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
SCHEMBL8124225 0.92 ALDH1A1 (0.43) ALDH1A1HPGDCYP11B2KDM4EMAPT
SCHEMBL8117768 0.90 MMP12 (0.52) ALDH1A1HPGDCYP11B2KDM4EHIF1A
SCHEMBL7821907 0.90 CYP11B2 (0.42) ALDH1A1HPGDCYP11B2KDM4EMAPT
SCHEMBL8483057 0.90 MMP12 (0.52) ALDH1A1HPGDCYP11B2KDM4EHIF1A
SCHEMBL7821910 0.90 CYP11B2 (0.42) ALDH1A1HPGDCYP11B2KDM4EMAPT
SCHEMBL8117910 0.90 MMP12 (0.52) ALDH1A1HPGDCYP11B2KDM4EHIF1A
SCHEMBL8481421 0.88 MEN1 (0.52) ALDH1A1CYP11B2MAPTMMP12MMP13
SCHEMBL8477371 0.88 CYP19A1 (0.50) ALDH1A1CYP11B2MAPTMMP12CYP19A1
SCHEMBL8109540 0.88 MEN1 (0.52) ALDH1A1CYP11B2MAPTMMP12MMP13
SCHEMBL8479732 0.88 MEN1 (0.52) ALDH1A1CYP11B2MAPTMMP12MMP13

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