SCHEMBL5853227

SCHEMBL5853227

CCCC(=O)N[Ti](Cl)(Cl)(c1cccc2c1Cc1ccccc1-2)[SiH](c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
LMNA P02545 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
KMT2A Q03164 1/20 0.38
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
TDP2 O95551 1/20 0.34
PAX8 Q06710 1/20 0.34
HKDC1 Q2TB90 1/20 0.34
TLR9 Q9NR96 1/20 0.34
MTNR1A P48039 6/20 0.33
MTNR1B P49286 6/20 0.33
PNMT P11086 1/20 0.33
ALOX5 P09917 1/20 0.33
HTR7 P34969 1/20 0.33

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
SCHEMBL5855252 0.94 NPC1 (0.39) NPC1RAB9ALMNAALDH1A1MEN1
SCHEMBL5856508 0.93 LMNA (0.41) NPC1RAB9ALMNAALDH1A1MEN1
SCHEMBL5853037 0.93 LMNA (0.41) NPC1RAB9ALMNAALDH1A1MEN1
SCHEMBL5854762 0.93 LMNA (0.41) NPC1RAB9ALMNAALDH1A1MEN1
SCHEMBL5853562 0.92 RAB9A (0.41) NPC1RAB9ALMNAALDH1A1MEN1
SCHEMBL5854802 0.89 NPC1 (0.44) NPC1RAB9ALMNAALDH1A1MEN1
SCHEMBL5855562 0.86 RAB9A (0.49) NPC1RAB9AALDH1A1DRD2DRD4
SCHEMBL5854924 0.83 NPC1 (0.41) NPC1RAB9ADRD2DRD4DRD3
SCHEMBL5853729 0.83 NPC1 (0.40) NPC1RAB9ALMNAALDH1A1MEN1
SCHEMBL5853736 0.83 MEN1 (0.40) 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