SCHEMBL3843024

SCHEMBL3843024

CSc1ccc2c(c1)C(O)=C(C(=O)NCC(=O)OCC(C)C)C(=O)C2(C)C

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.38
HSD17B10 Q99714 2/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
KDM4E B2RXH2 2/20 0.32
HPGD P15428 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
EGLN1 Q9GZT9 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 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
SCHEMBL3837300 0.86 SPR (0.39) SPRHPGDEGLN1ALDH1A1KMT2A
SCHEMBL3840046 0.86 SPR (0.39) SPRHPGDEGLN1ALDH1A1KMT2A
SCHEMBL1626700 0.85 SPR (0.40) SPRHSD17B10KDM4EHPGDEGLN1
SCHEMBL12720415 0.84 SPR (0.43) SPRHSD17B10TSHRHTTHPGD
SCHEMBL1627865 0.84 SPR (0.45) SPRHSD17B10HPGDEGLN1ALDH1A1
SCHEMBL3837301 0.79 CACNA1F (0.37) SPRHTTNPC1RAB9AEGLN1
SCHEMBL1626346 0.75 SPR (0.46) SPRTSHRHTTKDM4EHPGD
SCHEMBL3861436 0.74 SPR (0.48) SPRTSHRHTTKDM4ENPC1
SCHEMBL1626634 0.73 SPR (0.43) SPRHSD17B10TSHRKDM4EHPGD
SCHEMBL3864206 0.73 TSHR (0.31) TSHRHTT

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