SCHEMBL28066639

SCHEMBL28066639

CCCCCCc1ccc([C](C)c2ccc(CC(C)(C)C)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNNC1 P63316 5/20 0.54
S1PR1 P21453 2/20 0.54
SGPL1 O95470 1/20 0.54
S1PR4 O95977 1/20 0.54
GPR183 P32249 1/20 0.54
CERS2 Q96G23 1/20 0.54
S1PR3 Q99500 1/20 0.54
S1PR5 Q9H228 1/20 0.54
THRA P10827 6/20 0.53
THRB P10828 6/20 0.53
ESR1 P03372 2/20 0.51
ADRA2A P08913 2/20 0.51
ADORA3 P0DMS8 2/20 0.51
TACR2 P21452 2/20 0.51
SLC6A2 P23975 2/20 0.51
SLC6A4 P31645 2/20 0.51
SLC6A3 Q01959 2/20 0.51
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51

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
SCHEMBL5143017 0.78 ESR1 (0.60) TNNC1S1PR1SGPL1S1PR4GPR183
SCHEMBL27833284 0.77 ESR1 (0.64) TNNC1S1PR1SGPL1S1PR4GPR183
SCHEMBL8028839 0.77 ESR1 (0.64) TNNC1S1PR1SGPL1S1PR4GPR183
SCHEMBL8812120 0.77 ESR1 (0.64) TNNC1S1PR1SGPL1S1PR4GPR183
SCHEMBL7208484 0.77 ESR1 (0.46) TNNC1S1PR1SGPL1S1PR4GPR183
SCHEMBL29097669 0.75 ESR1 (0.67) THRATHRBESR1ADRA2AADORA3
SCHEMBL23849704 0.74 ESR1 (0.77) TNNC1S1PR1SGPL1S1PR4GPR183
SCHEMBL2511615 0.74 ESR1 (0.77) TNNC1S1PR1SGPL1S1PR4GPR183
SCHEMBL1412818 0.74 ESR1 (0.77) TNNC1S1PR1SGPL1S1PR4GPR183
SCHEMBL6681490 0.74 ESR1 (0.77) TNNC1S1PR1SGPL1S1PR4GPR183

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-103958548-B Use the manufacture method of the olefin block polymers of multiple transition-metal catalyst SUMITOMO CHEMICAL CO.,LTD. (JP) 2016-05-18 CN disclosed