SCHEMBL6585841

SCHEMBL6585841

CCOC(=O)CCCCc1ccc(OCc2ccccc2)c(OC)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.69
MTNR1A P48039 3/20 0.63
MTNR1B P49286 3/20 0.63
RAF1 P04049 2/20 0.57
MAP2K1 Q02750 2/20 0.57
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
HPGD P15428 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
FFAR4 Q5NUL3 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
KDM4E B2RXH2 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
BLM P54132 1/20 0.51
ALOX5 P09917 1/20 0.51
MEN1 O00255 1/20 0.50

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
SCHEMBL8891758 0.95 APP (0.62) APPMTNR1AMTNR1BRAF1MAP2K1
SCHEMBL8888747 0.92 APP (0.57) APPMTNR1AMTNR1BRAF1MAP2K1
SCHEMBL5881099 0.92 APP (0.73) APPMTNR1AMTNR1BNPC1RAB9A
SCHEMBL6583603 0.87 APP (0.66) APPMTNR1AMTNR1BNPC1RAB9A
SCHEMBL9724394 0.84 APP (0.62) APPMTNR1AMTNR1BNPC1RAB9A
SCHEMBL10826159 0.84 MTNR1A (0.53) APPMTNR1AMTNR1BRAF1MAP2K1
SCHEMBL5208237 0.84 APP (0.69) APPMTNR1AMTNR1BNPC1RAB9A
SCHEMBL6583392 0.84 APP (0.62) APPMTNR1AMTNR1BRAF1MAP2K1
SCHEMBL8890494 0.83 APP (0.61) APPMTNR1AMTNR1BSMN1; SMN2FFAR4
SCHEMBL11733932 0.83 LMNA (0.55) APPSMN1; SMN2CYP1A2CYP3A4CYP2D6

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
EP-0710659-B1 Oxazolidinedione derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-01-28 EP disclosed
US-5932601-A USEFUL FOR LOWERING BLOOD SUGAR AND LIPID IN BLOOD TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-08-03 US disclosed
WO-1997000249-A1 HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-01-03 WO disclosed
EP-0710659-A1 Oxazolidinedione derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-05-08 EP disclosed