SCHEMBL28040720

SCHEMBL28040720

CCCCc1ccc([Si]([C]2C=CC(C(C)CC)=C2)(c2ccc(CCCC)cc2)c2ccc(CCCC)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.34
CA1 P00915 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
LMNA P02545 2/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
ALDH1A1 P00352 3/20 0.33
HSD17B10 Q99714 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
HPGD P15428 1/20 0.33
HSD11B1 P28845 1/20 0.32
ESR1 P03372 2/20 0.32
ADRA2A P08913 2/20 0.32
ADORA3 P0DMS8 2/20 0.32
TACR2 P21452 2/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL28040859 0.89 CA2 (0.36) CA2CA1SMN1; SMN2LMNAALDH1A1
SCHEMBL28040810 0.81 PTGS2 (0.36) LMNAALDH1A1HSD17B10ESR1ADRA2A
SCHEMBL27870074 0.79 TSHR (0.34) TSHR
SCHEMBL28808177 0.78 CA2 (0.39) CA2CA1SMN1; SMN2LMNATSHR
SCHEMBL27942555 0.78 HSD11B1 (0.39) CA2CA1SMN1; SMN2LMNATSHR
SCHEMBL27942534 0.77 CA2 (0.38) CA2CA1SMN1; SMN2LMNATSHR
SCHEMBL27953365 0.77 CA2 (0.38) CA2CA1SMN1; SMN2LMNATSHR
SCHEMBL28040462 0.74 CA2 (0.36) CA2CA1SMN1; SMN2LMNATSHR
SCHEMBL28040578 0.74
SCHEMBL28040461 0.71 CA2 (0.33) CA2CA1SMN1; SMN2LMNATSHR

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 2 patents. 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
CN-102666607-B Olefinic polymers SUMITOMO CHEMICAL CO 2014-03-26 CN disclosed