SCHEMBL5852965

SCHEMBL5852965

CC(C)(C)c1ccccc1C(=O)N[Ti](Cl)(Cl)(c1cccc2c1Cc1ccccc1-2)[SiH](c1ccccc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
DRD2 P14416 2/20 0.36
DRD4 P21917 2/20 0.36
DRD3 P35462 2/20 0.36
HTR7 P34969 1/20 0.35
HTR2B P41595 1/20 0.35
HSP90AA1 P07900 2/20 0.33
ITGB1 P05556 1/20 0.32
ITGA4 P13612 1/20 0.32
PPARG P37231 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL5853980 0.90 NPC1 (0.38) NPC1RAB9ADRD2DRD4DRD3
SCHEMBL5855373 0.87 NPC1 (0.39) NPC1RAB9ADRD2DRD4DRD3
SCHEMBL5855151 0.85 RAB9A (0.37) NPC1RAB9ADRD2DRD4DRD3
SCHEMBL5854924 0.83 NPC1 (0.41) NPC1RAB9ADRD2DRD4DRD3
SCHEMBL5853729 0.83 NPC1 (0.40) NPC1RAB9ADRD2DRD4DRD3
SCHEMBL5853944 0.83 MAPK14 (0.37) NPC1RAB9ADRD2DRD4DRD3
SCHEMBL5855562 0.82 RAB9A (0.49) NPC1RAB9ADRD2DRD4DRD3
SCHEMBL5853673 0.82 RAB9A (0.39) NPC1RAB9ADRD2DRD4DRD3
SCHEMBL5852784 0.80 RAB9A (0.38) NPC1RAB9ADRD2DRD4DRD3
SCHEMBL5853562 0.79 RAB9A (0.41) NPC1RAB9ADRD2DRD4DRD3

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