SCHEMBL5078173

SCHEMBL5078173

COCC(C)(C)CO[Si](C)(C)Cc1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
SLC6A2 P23975 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
LMNA P02545 1/20 0.31
CYP2D6 P10635 1/20 0.31
LTA4H P09960 1/20 0.31
ALDH1A1 P00352 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TSHR P16473 1/20 0.31
SQLE Q14534 1/20 0.30
PIM1 P11309 1/20 0.30

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
SCHEMBL5085401 0.93 TAAR1 (0.36) NR1H2NR1H3SLC6A2TAAR1LMNA
SCHEMBL5077166 0.84 LMNA (0.35) NUDT1TAAR1LMNAALDH1A1TSHR
SCHEMBL5075172 0.84 ALDH1A1 (0.38) NR1H2NR1H3SLC6A2TAAR1ALDH1A1
SCHEMBL5075216 0.81 MAPT (0.32) NR1H2NR1H3ALDH1A1SQLE
SCHEMBL5078348 0.81 SLC6A2 (0.34) NR1H2NR1H3SLC6A2TAAR1LMNA
SCHEMBL5077729 0.77 TAAR1 (0.30) TAAR1
SCHEMBL5080807 0.76 KMT2A (0.32)
SCHEMBL5077257 0.76 NUDT1 (0.35) NUDT1
SCHEMBL5081767 0.76 TAAR1 (0.38) NR1H2NR1H3SLC6A2TAAR1LMNA
SCHEMBL5085393 0.76 TDP1 (0.38) SLC6A2TAAR1LMNAALDH1A1TSHR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7323431-B2 Catalyst for olefin polymerization and use of the same CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2008-01-29 US claimed
US-20060142146-A1 Catalyst for olefin polymerization and use of the same CHINA PETROLEUM & CHEMICAL CORPORATION 2006-06-29 US claimed
US-7399812-B2 Silicon ether compounds and a method for the preparation thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2008-07-15 US disclosed
US-7323431-B2 Catalyst for olefin polymerization and use of the same CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2008-01-29 US disclosed
US-20060183873-A1 Silicon ether compounds and a method for the preparation thereof BEIJING RESEARCH INSTITUTE OF CHEMICAL INDUSTRY, CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2006-08-17 US disclosed
US-20060142146-A1 Catalyst for olefin polymerization and use of the same CHINA PETROLEUM & CHEMICAL CORPORATION 2006-06-29 US disclosed