SCHEMBL28040412

SCHEMBL28040412

CCCCCCc1cc(CCCCCC)cc([Si]([C]2C=Cc3ccccc32)(c2cc(CCCCCC)cc(CCCCCC)c2)c2cc(CCCCCC)cc(CCCCCC)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.41
SETD7 Q8WTS6 1/20 0.38
PTGS2 P35354 4/20 0.37
HSD11B1 P28845 1/20 0.36
KCNH2 Q12809 1/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP3A4 P08684 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GPR84 Q9NQS5 1/20 0.35
LPL P06858 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
ESR1 P03372 2/20 0.34
ADRA2A P08913 2/20 0.34
ADORA3 P0DMS8 2/20 0.34
TACR2 P21452 2/20 0.34
SLC6A2 P23975 2/20 0.34

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
SCHEMBL28040608 0.83 LMNA (0.34) SETD7KCNH2MEN1KMT2ACYP3A4
SCHEMBL27953350 0.82 HSD11B1 (0.39) GPR3SETD7PTGS2HSD11B1MEN1
SCHEMBL28040851 0.79 GPR3 (0.46) GPR3PTGS2HSD11B1KCNH2CYP3A4
SCHEMBL28040821 0.76 GPR3 (0.39) GPR3PTGS2HSD11B1KCNH2NR1H2
SCHEMBL28797708 0.71 GPR3 (0.44) GPR3PTGS2HSD11B1KCNH2CYP3A4
SCHEMBL28040405 0.70 PTGS2 (0.40) PTGS2CYP3A4TDP1L3MBTL1GPR84
SCHEMBL28823624 0.70 LOXL2 (0.39) CYP3A4ALDH1A1
SCHEMBL216967 0.70 SETD7 (0.47) GPR3SETD7PTGS2KCNH2NR1H2
SCHEMBL3681426 0.70 SETD7 (0.47) GPR3SETD7PTGS2KCNH2NR1H2
SCHEMBL3684068 0.70 SETD7 (0.47) GPR3SETD7PTGS2KCNH2NR1H2

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-102666561-B Transition metal complex, the cyclopentadiene compound of catalyst for trimerization and replacement SUMITOMO CHEMICAL CO.,LTD. (JP) 2015-11-25 CN disclosed