SCHEMBL1783854

SCHEMBL1783854

OCCCCCCCCCCCCCCCCCCC(O)COCC(O)CO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.47
THRB P10828 1/20 0.39
CYP3A4 P08684 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 2/20 0.34
KDM4E B2RXH2 2/20 0.34
DUSP3 P51452 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.33
PTPN1 P18031 1/20 0.33
ALOX5 P09917 1/20 0.31
PSMD14 O00487 2/20 0.31
PLA2G1B P04054 2/20 0.31
MMP2 P08253 2/20 0.31
ATG4B Q9Y4P1 2/20 0.31
HSP90AA1 P07900 1/20 0.31
RAD52 P43351 1/20 0.31
ACACB O00763 1/20 0.31
ACACA Q13085 1/20 0.31

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
SCHEMBL2139326 1.00 USP2 (0.47) USP2THRBCYP3A4SMN1; SMN2LMNA
SCHEMBL7545745 0.98 USP2 (0.44) USP2THRBCYP3A4SMN1; SMN2LMNA
SCHEMBL7116256 0.91 USP2 (0.45) USP2THRBCYP3A4SMN1; SMN2LMNA
1,6-Hexanediol SCHEMBL28881383 0.91 USP2 (0.54) USP2THRBLMNAKDM4EDUSP3
SCHEMBL129740 0.91 KDM4E (0.34) USP2THRBCYP3A4KDM4EPTPN1
1,4-Butanediol SCHEMBL11042082 0.89 USP2 (0.50) USP2THRBSMN1; SMN2LMNAKDM4E
SCHEMBL100311 0.86 USP2 (0.48) USP2THRBCYP3A4SMN1; SMN2LMNA
SCHEMBL9407351 0.85 THRB (0.54) USP2THRBLMNAKDM4EDUSP3
SCHEMBL6026201 0.84 USP2 (0.42) USP2THRBCYP3A4SMN1; SMN2LMNA
SCHEMBL100310 0.84 USP2 (0.47) USP2THRBCYP3A4SMN1; SMN2LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110117190-A1 Pharmaceutical Formulations GLAXO GROUP LIMITED 2011-05-19 US disclosed
EP-2219624-A2 PHARMACEUTICAL FORMULATIONS Glaxo Group Limited (GB) 2010-08-25 EP disclosed
WO-2009087483-A2 PHARMACEUTICAL FORMULATIONS GLAXO GROUP LIMITED (US) 2009-07-16 WO disclosed
US-20090148518-A1 Pharmaceutical Formulations CAPSUGEL BELGIUM NV (BE) 2009-06-11 US disclosed