SCHEMBL5081803

SCHEMBL5081803

CCC[Si](C)(C)OCC(CO[Si](C)(C)CCC)(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 1/20 0.34
CYP2D6 P10635 1/20 0.34
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.31
POLB P06746 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RECQL P46063 1/20 0.31
MMP8 P22894 1/20 0.31
TRPA1 O75762 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
HIF1A Q16665 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
SCHEMBL5078138 0.94 SLC6A2 (0.33) SLC6A2TAAR1CYP1A2CYP2C9CYP2C19
SCHEMBL5080806 0.93 ALDH1A1 (0.33) SLC6A2TAAR1CYP1A2CYP2C9CYP2C19
SCHEMBL5075143 0.91 SLC6A2 (0.31) SLC6A2TAAR1CYP1A2CYP2C9CYP2C19
SCHEMBL5085428 0.90 SLC6A2 (0.34) SLC6A2TAAR1LMNACYP2D6SMN1; SMN2
SCHEMBL5081735 0.87 TAAR1 (0.36) SLC6A2TAAR1LMNACYP2D6SMN1; SMN2
SCHEMBL5085326 0.86 SLC6A2 (0.38) SLC6A2TAAR1CYP1A2CYP2C9CYP2C19
SCHEMBL5085457 0.85 SLC6A2 (0.31) SLC6A2TAAR1
SCHEMBL5080955 0.84 ALDH1A1 (0.32) SLC6A2TAAR1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL5077395 0.83 ALDH1A1 (0.32) ALDH1A1
SCHEMBL5075136 0.83 SMN1; SMN2 (0.33) SMN1; SMN2POLBALDH1A1NPC1RAB9A

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 4 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-7323431-B2 Catalyst for olefin polymerization and use of the same CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2008-01-29 US disclosed
US-20060142146-A1 Catalyst for olefin polymerization and use of the same CHINA PETROLEUM & CHEMICAL CORPORATION 2006-06-29 US disclosed