SCHEMBL4067603

SCHEMBL4067603

COc1ccc2c(c1)oc(=O)n2OC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.46
ALDH1A1 P00352 7/20 0.45
HPGD P15428 3/20 0.45
GAA P10253 1/20 0.45
MAOB P27338 1/20 0.45
LMNA P02545 2/20 0.44
TP53 P04637 1/20 0.44
CBX7 O95931 4/20 0.44
CDYL2 Q8N8U2 4/20 0.44
CDYL Q9Y232 4/20 0.44
CDY1; CDY1B Q9Y6F8 4/20 0.44
KDM4E B2RXH2 6/20 0.43
NPC1 O15118 2/20 0.43
MAPT P10636 2/20 0.43
RAB9A P51151 2/20 0.43
POLB P06746 1/20 0.43
STAT1 P42224 1/20 0.43
CASP3 P42574 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SENP8 Q96LD8 1/20 0.43

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
SCHEMBL4246933 0.89 KMO (0.55) KMOALDH1A1HPGDGAAMAOB
SCHEMBL29999740 0.83 KDM4E (0.47) KMOALDH1A1HPGDMAOBLMNA
SCHEMBL8296662 0.75 L3MBTL1 (0.60) KMOALDH1A1HPGDLMNATP53
SCHEMBL4242148 0.73 KMO (0.61) KMOLMNATP53CBX7CDYL2
SCHEMBL8463444 0.72 KDM4E (0.44) ALDH1A1HPGDLMNATP53KDM4E
SCHEMBL4413088 0.72 HPGD (0.59) KMOHPGDLMNATP53CBX7
SCHEMBL13140318 0.72 TP53 (0.58) KMOALDH1A1HPGDLMNATP53
SCHEMBL8177728 0.71 KMO (0.55) KMOALDH1A1HPGDLMNATP53
SCHEMBL2955732 0.70 KMO (0.51) KMOALDH1A1HPGDLMNATP53
SCHEMBL14553919 0.70 OGT (0.60) KMOALDH1A1LMNACBX7CDYL2

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-2049118-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS SmithKline Beecham Corporation (US) 2009-04-22 EP disclosed
WO-2008011551-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS SMITHKLINE BEECHAM CORPORATION (US) 2008-01-24 WO disclosed