SCHEMBL28860141

SCHEMBL28860141

CCc1cccc(C2=CC([C]3C(C)=C(C)C(C)=C3C)c3ccccc32)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.36
HTR7 P34969 5/20 0.34
BCL2 P10415 1/20 0.34
ALDH1A1 P00352 2/20 0.33
NISCH Q9Y2I1 1/20 0.33
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
NOTUM Q6P988 1/20 0.32
PTGS2 P35354 1/20 0.32
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 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
SCHEMBL28219888 0.90 HTR7 (0.38) HTR7
SCHEMBL28219807 0.88 HTR7 (0.39) HTR7HCRTR1HCRTR2
SCHEMBL28219806 0.88 PSMB5 (0.37) HTR7NPC1MAPK1RAB9A
SCHEMBL28219444 0.85 EDNRB (0.36) ALDH1A1NPC1LMNAMAPTMAPK1
SCHEMBL28219801 0.81 AURKA (0.32) ALDH1A1MAPK1
SCHEMBL28860142 0.78 TAAR1 (0.39) HTR7
SCHEMBL28302273 0.77
SCHEMBL28219808 0.77 HSD11B1 (0.32)
SCHEMBL28219820 0.76 CSNK2A2 (0.31)
SCHEMBL28219448 0.75 HSD11B1 (0.41) NISCHNPC1MAPK1RAB9ASMN1; SMN2

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
CN-108137729-A It is used to form the catalyst of multimodal polymer 埃克森美孚化学专利公司 2018-06-08 CN disclosed