SCHEMBL5853604

SCHEMBL5853604

C[SiH](C)[Hf](Cl)(Cl)(NC(=O)c1ccccc1C(C)(C)C)c1cccc2c1Cc1ccccc1-2

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HTR7 P34969 1/20 0.36
HTR2B P41595 1/20 0.36
DRD2 P14416 2/20 0.33
DRD4 P21917 2/20 0.33
DRD3 P35462 2/20 0.33
HSP90AA1 P07900 2/20 0.32
ITGB1 P05556 1/20 0.31
ITGA4 P13612 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.31
PPARG P37231 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 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
SCHEMBL5853653 0.89 NPC1 (0.36) NPC1RAB9AHTR7HTR2BDRD2
SCHEMBL5853914 0.86 NPC1 (0.40) NPC1RAB9AHTR7HTR2BDRD2
SCHEMBL5854117 0.84 RAB9A (0.39) NPC1RAB9AHTR7HTR2BDRD2
SCHEMBL5855486 0.83 NPC1 (0.42) NPC1RAB9AHTR7HTR2BDRD2
SCHEMBL5853476 0.83 RAB9A (0.42) NPC1RAB9AHTR7HTR2BDRD2
SCHEMBL5854995 0.82 MAPK14 (0.38) NPC1RAB9AMEN1KMT2A
SCHEMBL5853400 0.81 RAB9A (0.51) NPC1RAB9AHTR7HTR2BDRD2
SCHEMBL5853683 0.81 RAB9A (0.41) NPC1RAB9AHTR7HTR2BDRD2
SCHEMBL5855160 0.79 RAB9A (0.39) NPC1RAB9AHTR7HTR2BDRD2
SCHEMBL5854944 0.78 RAB9A (0.42) 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 2 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
US-20040242814-A1 COPOLYMERS OF ETHYLENE AND/OR ALPHA-OLEFINS AND VICINALLY DISUBSTITUTED OLEFINS EXXONMOBIL CHEMICAL PATENTS INC. 2004-12-02 US disclosed