SCHEMBL5853240

SCHEMBL5853240

CCCC(=O)N[Ti](Cl)(Cl)(C1C=Cc2ccccc21)[SiH](C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.33
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HTT P42858 2/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
ADORA1 P30542 2/20 0.32
TDP2 O95551 1/20 0.32
PAX8 Q06710 1/20 0.32
HKDC1 Q2TB90 1/20 0.32
TLR9 Q9NR96 1/20 0.32
CYP2C19 P33261 2/20 0.32
RECQL P46063 1/20 0.32
MTNR1A P48039 2/20 0.31
MTNR1B P49286 2/20 0.31
CYP3A4 P08684 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NPC1 O15118 2/20 0.30
RAB9A P51151 2/20 0.30
MEN1 O00255 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
SCHEMBL5855136 0.93 HTT (0.36) ALDH1A1HTTHPGDADORA1L3MBTL1
SCHEMBL5853596 0.92 EPHX2 (0.36) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL5853680 0.91 EPHX2 (0.38) ALDH1A1MEN1KMT2A
SCHEMBL5854935 0.91 EPHX2 (0.38) ALDH1A1MEN1KMT2A
SCHEMBL5854229 0.90 SIGMAR1 (0.30) MAPK1CYP2C19MTNR1AMTNR1BCYP3A4
SCHEMBL5853727 0.87 ALOX5 (0.34) ALOX5MAPK1ALDH1A1HTTMAPT
SCHEMBL6066945 0.85
SCHEMBL5852593 0.84 MEN1 (0.30) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL6066735 0.83
SCHEMBL5853822 0.81 ALDH1A1 (0.34) ALDH1A1HTTHPGDADORA1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7037989-B2 Copolymers of ethylene and/or α-olefins and vicinally disubstituted olefins EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-05-02 US disclosed
WO-2004106394-A1 COPOLYMERS OF ETHYLENE AND/OR α-OLEFINS AND VICINALLY DISUBSTITUTED OLEFINS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-12-09 WO disclosed
US-20040242814-A1 COPOLYMERS OF ETHYLENE AND/OR ALPHA-OLEFINS AND VICINALLY DISUBSTITUTED OLEFINS EXXONMOBIL CHEMICAL PATENTS INC. 2004-12-02 US disclosed