SCHEMBL5854802

SCHEMBL5854802

CCCC(=O)N[Ti](Cl)(Cl)(c1cccc2c1Cc1ccccc1-2)[SiH](C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP2 O95551 1/20 0.35
PAX8 Q06710 1/20 0.35
HKDC1 Q2TB90 1/20 0.35
TLR9 Q9NR96 1/20 0.35
PNMT P11086 1/20 0.35
MTNR1A P48039 3/20 0.34
MTNR1B P49286 3/20 0.34
HTR7 P34969 1/20 0.34
HTR2B P41595 1/20 0.34
GAA P10253 2/20 0.33
HTT P42858 1/20 0.32
PTPRC P08575 2/20 0.32

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
SCHEMBL5853459 0.93 NPC1 (0.40) NPC1RAB9ALMNAALDH1A1MEN1
SCHEMBL5855017 0.92 GAA (0.43) NPC1RAB9ALMNAALDH1A1MEN1
SCHEMBL5853949 0.92 GAA (0.43) NPC1RAB9ALMNAALDH1A1MEN1
SCHEMBL5854088 0.92 GAA (0.43) NPC1RAB9ALMNAALDH1A1MEN1
SCHEMBL5853480 0.92 RAB9A (0.42) NPC1RAB9ALMNAALDH1A1MEN1
SCHEMBL5853227 0.89 NPC1 (0.42) NPC1RAB9ALMNAALDH1A1MEN1
SCHEMBL5856710 0.86 RAB9A (0.51) NPC1RAB9ALMNAALDH1A1MEN1
SCHEMBL5853920 0.83 L3MBTL1 (0.40) NPC1RAB9ALMNAALDH1A1MEN1
SCHEMBL5855782 0.83 NPC1 (0.42) NPC1RAB9AMEN1KMT2APNMT
SCHEMBL5852744 0.83 RAB9A (0.42) NPC1RAB9ALMNAALDH1A1MEN1

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