SCHEMBL3855928

SCHEMBL3855928

COc1cc2c(cc1Br)C1(CCOCC1)C(=O)C(C(=O)NCC(=O)OCC(C)C)=C2O

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.34
EGLN1 Q9GZT9 1/20 0.33
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SPR P35270 1/20 0.31
P2RX7 Q99572 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GLA P06280 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
HTR2A P28223 2/20 0.30
SLC6A5 Q9Y345 2/20 0.30
KCNA3 P22001 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
P2RX3 P56373 1/20 0.30

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
SCHEMBL1626233 0.87 EGLN1 (0.34) HTTEGLN1SPRP2RX7SMN1; SMN2
SCHEMBL1627688 0.87 EGLN1 (0.44) EGLN1P2RX7SMN1; SMN2HTR2ASLC6A5
SCHEMBL12720392 0.87 EGLN1 (0.36) HTTEGLN1ALDH1A1SPRP2RX7
SCHEMBL3865775 0.85 HTT (0.41) HTTEGLN1ALDH1A1KDM4ESPR
SCHEMBL3864870 0.83 SPR (0.39) HTTEGLN1ALDH1A1KDM4ESPR
SCHEMBL3859450 0.81 EGLN1 (0.35) HTTEGLN1ALDH1A1P2RX7SMN1; SMN2
SCHEMBL1625317 0.78 SPR (0.47) HTTALDH1A1KDM4EHSD17B10SPR
SCHEMBL3861436 0.74 SPR (0.48) HTTEGLN1ALDH1A1KDM4ESPR
SCHEMBL1627956 0.73 SPR (0.50) EGLN1ALDH1A1KDM4EHSD17B10SPR
SCHEMBL3856424 0.72 SPR (0.35) EGLN1SPRSMN1; SMN2HPGDMEN1

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-2111399-A2 NAPHTHALENONE COMPOUNDS EXHIBITING PROLYL HYDROXYLASE INHIBITORY ACTIVITY, COMPOSITIONS, AND USES THEREOF Amgen Inc. (US) 2009-10-28 EP disclosed
WO-2008076427-A2 NAPHTHALENONE COMPOUNDS EXHIBITING PROLYL HYDROXYLASE INHIBITORY ACTIVITY, COMPOSITIONS, AND USES THEREOF AMGEN INC. (US) 2008-06-26 WO disclosed