SCHEMBL5853673

SCHEMBL5853673

Cc1cccc(C)c1C(=O)N[Ti](Cl)(Cl)(c1cccc2c1Cc1ccccc1-2)[SiH](c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
DRD2 P14416 2/20 0.34
DRD4 P21917 2/20 0.34
DRD3 P35462 2/20 0.34
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
SLC6A9 P48067 3/20 0.33
HTR2B P41595 2/20 0.33
HTR7 P34969 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
HSP90AA1 P07900 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KMT2A Q03164 2/20 0.30
MEN1 O00255 1/20 0.30
PNMT P11086 1/20 0.30
GSR P00390 1/20 0.30
CYP1A2 P05177 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
SCHEMBL5852832 0.93 RAB9A (0.37) RAB9ANPC1DRD2DRD4DRD3
SCHEMBL5855373 0.91 NPC1 (0.39) RAB9ANPC1DRD2DRD4DRD3
SCHEMBL5854704 0.89 RAB9A (0.41) RAB9ANPC1DRD2DRD4DRD3
SCHEMBL5853729 0.87 NPC1 (0.40) RAB9ANPC1DRD2DRD4DRD3
SCHEMBL5856462 0.87 RAB9A (0.37) RAB9ANPC1DRD2DRD4DRD3
SCHEMBL5855562 0.85 RAB9A (0.49) RAB9ANPC1DRD2DRD4DRD3
SCHEMBL5852784 0.85 RAB9A (0.38) RAB9ANPC1DRD2DRD4DRD3
SCHEMBL5856505 0.85 SMN1; SMN2 (0.41) RAB9ANPC1DRD2KMT2AMEN1
SCHEMBL5854924 0.83 NPC1 (0.41) RAB9ANPC1DRD2DRD4DRD3
SCHEMBL5853562 0.83 RAB9A (0.41) RAB9ANPC1DRD2DRD4DRD3

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