SCHEMBL5854752

SCHEMBL5854752

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

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HTR7 P34969 1/20 0.34
HTR2B P41595 1/20 0.34
DRD2 P14416 2/20 0.33
DRD4 P21917 2/20 0.33
DRD3 P35462 2/20 0.33
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33
PPARG P37231 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
HSP90AA1 P07900 1/20 0.33

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
SCHEMBL5853266 0.89 NPC1 (0.38) NPC1RAB9AHTR7HTR2BDRD2
SCHEMBL5854305 0.87 NPC1 (0.38) NPC1RAB9AHTR7HTR2BDRD2
SCHEMBL5853793 0.86 RAB9A (0.37) NPC1RAB9AHTR7HTR2BDRD2
SCHEMBL5856940 0.84 RAB9A (0.40) NPC1RAB9AHTR7HTR2BDRD2
SCHEMBL5852571 0.84 NPC1 (0.39) NPC1RAB9AHTR7HTR2BDRD2
SCHEMBL5853125 0.83 MAPK14 (0.39) NPC1RAB9A
SCHEMBL5855645 0.82 RAB9A (0.48) NPC1RAB9AHTR7HTR2BDRD2
SCHEMBL5854180 0.82 RAB9A (0.39) NPC1RAB9AHTR7HTR2BDRD2
SCHEMBL5855114 0.80 RAB9A (0.37) NPC1RAB9AHTR7HTR2BPPARG
SCHEMBL5853420 0.80 RAB9A (0.40) NPC1RAB9AHTR7HTR2BDRD2

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