SCHEMBL4246933

SCHEMBL4246933

COc1ccc2oc(=O)n(OC(C)=O)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.55
CDYL2 Q8N8U2 8/20 0.52
CDYL Q9Y232 8/20 0.52
CBX7 O95931 7/20 0.52
CDY1; CDY1B Q9Y6F8 6/20 0.52
CD74 P04233 2/20 0.48
MIF P14174 2/20 0.48
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 3/20 0.46
HPGD P15428 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
CASP3 P42574 1/20 0.46
RAB9A P51151 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
HSD17B10 Q99714 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL4067603 0.89 KMO (0.46) KMOCDYL2CDYLCBX7CDY1; CDY1B
SCHEMBL29957877 0.73 KMO (0.76) KMOCDYL2CDYLCBX7CDY1; CDY1B
SCHEMBL2950965 0.73 KMO (0.76) KMOCDYL2CDYLCBX7CDY1; CDY1B
SCHEMBL29958210 0.72 CDYL2 (0.69) KMOCDYL2CDYLCBX7CDY1; CDY1B
SCHEMBL27033393 0.72 CDYL2 (0.69) KMOCDYL2CDYLCBX7CDY1; CDY1B
SCHEMBL14615630 0.72 KMO (0.67) KMOCDYL2CDYLCBX7CDY1; CDY1B
SCHEMBL29999740 0.71 KDM4E (0.47) KMOCDYL2CDYLCBX7CDY1; CDY1B
SCHEMBL2953262 0.70 KMO (0.60) KMOCDYL2CDYLCBX7CDY1; CDY1B
SCHEMBL8463444 0.70 KDM4E (0.44) ALDH1A1KDM4EHPGDSMN1; SMN2NPC1
SCHEMBL13099996 0.69 CDYL2 (0.64) KMOCDYL2CDYLCBX7CDY1; CDY1B

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