SCHEMBL3521074

SCHEMBL3521074

CCCOc1ccc(-c2cnc3c(C(=O)NCC(=O)OCC)c(O)ccc3n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.41
POLB P06746 3/20 0.41
NPC1 O15118 6/20 0.40
MAPT P10636 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
RAB9A P51151 4/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 4/20 0.40
HPGD P15428 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
DHODH Q02127 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PDE10A Q9Y233 1/20 0.40
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
KMT2A Q03164 1/20 0.38
RELA Q04206 1/20 0.38
EGLN3 Q9H6Z9 1/20 0.38
HSD17B10 Q99714 2/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL3523500 0.90 EGLN3 (0.48) PLA2G2APOLBNPC1MAPTSMN1; SMN2
SCHEMBL3521070 0.88 EGLN1 (0.43) POLBNPC1MAPTSMN1; SMN2RAB9A
SCHEMBL3760728 0.88 HPGD (0.41) POLBNPC1MAPTSMN1; SMN2RAB9A
SCHEMBL3518478 0.88 EGLN3 (0.50) NPC1MAPTSMN1; SMN2RAB9AALDH1A1
SCHEMBL3766318 0.87 MAPT (0.39) POLBNPC1MAPTSMN1; SMN2RAB9A
SCHEMBL3521384 0.87 CASP1 (0.49) NPC1MAPTSMN1; SMN2RAB9AALDH1A1
SCHEMBL3759035 0.85 CASP1 (0.40) NPC1MAPTSMN1; SMN2RAB9AALDH1A1
SCHEMBL3756981 0.84 SMN1; SMN2 (0.49) NPC1MAPTSMN1; SMN2RAB9AALDH1A1
SCHEMBL3761570 0.83 EGLN3 (0.45) POLBNPC1MAPTSMN1; SMN2RAB9A
SCHEMBL3521148 0.83 EGLN3 (0.46) NPC1MAPTRAB9AALDH1A1KDM4E

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-2227770-A2 PROLYL HYDROXYLASE INHIBITORS GlaxoSmithKline LLC (US) 2010-09-15 EP disclosed
WO-2009073497-A2 PROLYL HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-11 WO disclosed