SCHEMBL18255264

SCHEMBL18255264

CCCCOc1ccc(F)cc1CC/C=C\CO

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.40
PPARD Q03181 4/20 0.40
PPARA Q07869 4/20 0.40
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
FAAH O00519 2/20 0.37
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
LTB4R Q15722 2/20 0.36
CNR2 P34972 3/20 0.35
CNR1 P21554 2/20 0.35
LTB4R2 Q9NPC1 1/20 0.35

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
SCHEMBL18255231 1.00 PPARG (0.40) PPARGPPARDPPARAMEN1NPC1
SCHEMBL18909839 0.83 PPARG (0.45) PPARGPPARDPPARAMEN1NPC1
SCHEMBL18255266 0.80 FAAH (0.46) PPARGPPARDPPARAMEN1NPC1
SCHEMBL12634447 0.79 KCNH2 (0.44) PPARGPPARDPPARAMEN1NPC1
SCHEMBL19988043 0.78 HTR1A (0.46) LMNA
SCHEMBL19988047 0.78 HTR1A (0.46) LMNA
SCHEMBL73987 0.77 MTNR1A (0.45) PPARGPPARDPPARAMEN1NPC1
SCHEMBL11919293 0.77 L3MBTL1 (0.45) PPARGPPARDPPARAFAAHLTB4R
SCHEMBL18255255 0.76 LTB4R (0.42) PPARGPPARDPPARAMEN1NPC1
SCHEMBL3808282 0.76 LTB4R (0.57) PPARGPPARDPPARALTB4RLTB4R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016183809-A1 NEBIVOLOL SYNTHESIS METHOD AND INTERMEDIATE COMPOUND THEREOF 浙江奥翔药业股份有限公司 2016-11-24 WO disclosed