SCHEMBL5852832

SCHEMBL5852832

Cc1cc(C)c(C(=O)N[Ti](Cl)(Cl)(c2cccc3c2Cc2ccccc2-3)[SiH](c2ccccc2)c2ccccc2)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.37
NPC1 O15118 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 1/20 0.33
DRD2 P14416 2/20 0.32
DRD4 P21917 2/20 0.32
DRD3 P35462 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HTR2B P41595 2/20 0.31
HTR7 P34969 1/20 0.31
CYP1A2 P05177 1/20 0.31
ADRA2A P08913 1/20 0.31
MAOA P21397 1/20 0.31
SLC6A2 P23975 1/20 0.31
HTR2C P28335 1/20 0.31
SLC6A4 P31645 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
SCHEMBL5853673 0.93 RAB9A (0.39) RAB9ANPC1DRD2DRD4DRD3
SCHEMBL5852362 0.90 RAB9A (0.39) RAB9ANPC1SMN1; SMN2POLBKDM4E
SCHEMBL5852784 0.89 RAB9A (0.38) RAB9ANPC1SMN1; SMN2POLBDRD2
SCHEMBL5856505 0.86 SMN1; SMN2 (0.41) RAB9ANPC1SMN1; SMN2POLBDRD2
SCHEMBL5855373 0.86 NPC1 (0.39) RAB9ANPC1SMN1; SMN2POLBDRD2
SCHEMBL5853729 0.84 NPC1 (0.40) RAB9ANPC1SMN1; SMN2DRD2DRD4
SCHEMBL5856462 0.84 RAB9A (0.37) RAB9ANPC1DRD2DRD4DRD3
SCHEMBL5855562 0.83 RAB9A (0.49) RAB9ANPC1DRD2DRD4DRD3
SCHEMBL5854704 0.82 RAB9A (0.41) RAB9ANPC1DRD2DRD4DRD3
SCHEMBL5853562 0.80 RAB9A (0.41) RAB9ANPC1SMN1; SMN2DRD2DRD4

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