SCHEMBL5853386

SCHEMBL5853386

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

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HTR2B P41595 2/20 0.33
HTR7 P34969 1/20 0.33
HSP90AA1 P07900 1/20 0.32
MAPT P10636 1/20 0.32
PNMT P11086 1/20 0.31
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31
CYP1A2 P05177 1/20 0.30
ADRA2A P08913 1/20 0.30
MAOA P21397 1/20 0.30
SLC6A2 P23975 1/20 0.30
HTR2C P28335 1/20 0.30
SLC6A4 P31645 1/20 0.30
SRD5A2 P31213 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
SCHEMBL5855903 0.88 NPC1 (0.48) NPC1RAB9AHTR2BHTR7HSP90AA1
SCHEMBL5855486 0.88 NPC1 (0.42) NPC1RAB9AHTR2BHTR7HSP90AA1
SCHEMBL5853764 0.85 RAB9A (0.40) NPC1RAB9AHTR2BHTR7HSP90AA1
SCHEMBL5852959 0.84 NPC1 (0.39) NPC1RAB9AHTR2BHTR7HSP90AA1
SCHEMBL5853059 0.84 NPC1 (0.41) NPC1RAB9AHTR2BHTR7HSP90AA1
SCHEMBL5853653 0.84 NPC1 (0.36) NPC1RAB9AHTR2BHTR7HSP90AA1
SCHEMBL5853876 0.83 RAB9A (0.39) NPC1RAB9AHTR2BHTR7HSP90AA1
SCHEMBL5854687 0.82 MAPK14 (0.37) NPC1RAB9ASRD5A2
SCHEMBL5854756 0.82 NPC1 (0.38) NPC1RAB9AHTR2BHTR7DRD2
SCHEMBL5853365 0.82 NPC1 (0.38) NPC1RAB9AHTR2BHTR7HSP90AA1

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