SCHEMBL6792181

SCHEMBL6792181

CCCCC(CC)CC[B-](CCC(CC)CCCC)(CCC(CC)CCCC)CCC(CC)CCCC.CCCCCCCCC[NH+](CCCCCCCCC)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
KDM4E B2RXH2 1/20 0.37
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
CYP3A4 P08684 2/20 0.35
CA2 P00918 1/20 0.35
LMNA P02545 2/20 0.33
MAPK1 P28482 1/20 0.32
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CSNK1E P49674 1/20 0.31
HDAC3 O15379 3/20 0.31
HDAC1 Q13547 3/20 0.31
HDAC2 Q92769 3/20 0.31
HDAC8 Q9BY41 3/20 0.31
HDAC6 Q9UBN7 3/20 0.31

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
SCHEMBL6791188 0.79 PRSS1 (0.30) PRSS1PRSS2PRSS3
SCHEMBL6791836 0.75 ALDH1A1 (0.35) ALDH1A1KDM4ECYP3A4CA2LMNA
SCHEMBL6798799 0.74 PRSS1 (0.31) PRSS1PRSS2PRSS3
SCHEMBL5716178 0.73 ALDH1A1 (0.52) ALDH1A1CYP3A4CA2LMNAL3MBTL1
SCHEMBL31154276 0.73 DNM1 (0.34) MAPK1MEN1KMT2A
SCHEMBL6791718 0.73 ALDH1A1 (0.33) ALDH1A1KDM4EPRSS1PRSS2PRSS3
Diethylaniline SCHEMBL25207299 0.70 CNR2 (0.34) ALDH1A1MAPTTDP1TSHR
SCHEMBL2135141 0.69 DNM1 (0.31) MAPK1MEN1KMT2A
SCHEMBL16715263 0.69 DNM1 (0.31) MAPK1MEN1KMT2A
SCHEMBL22283328 0.69 DNM1 (0.31) MAPK1MEN1KMT2A

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-6822057-B2 OLEFIN POLYMERIZATION CATALYST SYSTEM IS A REACTION PRODUCT OF A METALLOCENES AND A COCATALYST CONTAINING FLUOROARYL SUBSTITUTED SECONDARY AMINE OR PHSOPHINE COMPOUND AND AN ANION CONTAINING GROUP 13 ELEMENT WHICH IS NONCOORDINATIG EXXON MOBIL CHEMICAL PATENTS INC. 2004-11-23 US disclosed
US-6489480-B2 COORDINATION POLYMERIZATION CATALYST FOR ALPHA-OLEFINS EXXONMOBIL CHEMICAL PATENTS INC. 2002-12-03 US disclosed
US-20020115806-A1 Olefin polymerization catalysts derived from Group-15 cationic compounds and processes using them EXXONMOBIL CHEMICAL PATENTS INC. 2002-08-22 US disclosed
US-20020111265-A1 GROUP-15 CATIONIC COMPOUNDS FOR OLEFIN POLYMERIZATION CATALYSTS EXXONMOBIL CHEMICAL PATENTS INC. 2002-08-15 US disclosed