SCHEMBL18255255

SCHEMBL18255255

CCCCOc1ccc(F)cc1CCC#CCO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.42
PPARG P37231 8/20 0.40
PPARD Q03181 5/20 0.40
PPARA Q07869 5/20 0.40
FAAH O00519 2/20 0.37
MEN1 O00255 2/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GALR3 O60755 1/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
ESR1 P03372 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 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
SCHEMBL18909839 0.83 PPARG (0.45) LTB4RPPARGPPARDPPARAFAAH
SCHEMBL18255315 0.83 KDM4E (0.39) LTB4RPPARGPPARDPPARAFAAH
SCHEMBL18255268 0.82 PPARG (0.40) LTB4RPPARGPPARDPPARAFAAH
SCHEMBL18255266 0.80 FAAH (0.46) PPARGPPARDPPARAFAAHMEN1
SCHEMBL12634447 0.79 KCNH2 (0.44) LTB4RPPARGPPARDPPARAMEN1
SCHEMBL19988039 0.78 HTR1A (0.46) LMNA
SCHEMBL73987 0.77 MTNR1A (0.45) PPARGPPARDPPARAMEN1HTT
SCHEMBL11919293 0.77 L3MBTL1 (0.45) LTB4RPPARGPPARDPPARAFAAH
SCHEMBL18255231 0.76 PPARG (0.40) LTB4RPPARGPPARDPPARAFAAH
SCHEMBL18255264 0.76 PPARG (0.40) LTB4RPPARGPPARDPPARAFAAH

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