SCHEMBL5855562

SCHEMBL5855562

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
HTR2B P41595 2/20 0.38
CYP1A2 P05177 2/20 0.38
ADRA2A P08913 1/20 0.38
MAOA P21397 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2C P28335 1/20 0.38
SLC6A4 P31645 1/20 0.38
HTR7 P34969 1/20 0.36
SRD5A2 P31213 2/20 0.35
DRD2 P14416 2/20 0.34
DRD4 P21917 2/20 0.34
DRD3 P35462 2/20 0.34
HSP90AA1 P07900 2/20 0.34
PNMT P11086 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
ALDH1A1 P00352 1/20 0.31
GSR P00390 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
SCHEMBL5856710 0.88 RAB9A (0.51) RAB9ANPC1HTR2BCYP1A2ADRA2A
SCHEMBL5853562 0.87 RAB9A (0.41) RAB9ANPC1HTR2BCYP1A2ADRA2A
SCHEMBL5854924 0.87 NPC1 (0.41) RAB9ANPC1HTR2BCYP1A2ADRA2A
SCHEMBL5853729 0.87 NPC1 (0.40) RAB9ANPC1HTR2BCYP1A2HTR7
SCHEMBL5853227 0.86 NPC1 (0.42) RAB9ANPC1HTR2BHTR7DRD2
SCHEMBL5853673 0.85 RAB9A (0.39) RAB9ANPC1HTR2BCYP1A2ADRA2A
SCHEMBL5855373 0.85 NPC1 (0.39) RAB9ANPC1HTR2BHTR7DRD2
SCHEMBL5855252 0.85 NPC1 (0.39) RAB9ANPC1DRD2DRD4DRD3
SCHEMBL5852784 0.84 RAB9A (0.38) RAB9ANPC1HTR2BCYP1A2ADRA2A
SCHEMBL5854762 0.84 LMNA (0.41) RAB9ANPC1ALDH1A1

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