SCHEMBL5855856

SCHEMBL5855856

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
HTR2B P41595 2/20 0.35
HTR7 P34969 1/20 0.35
DRD2 P14416 2/20 0.34
DRD4 P21917 2/20 0.34
DRD3 P35462 2/20 0.34
HSP90AA1 P07900 2/20 0.33
PPARG P37231 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
KCNK3 O14649 3/20 0.32
KCNK9 Q9NPC2 3/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
BCL2 P10415 1/20 0.31
EGFR P00533 1/20 0.31
CYP1A2 P05177 1/20 0.30
ADRA2A P08913 1/20 0.30
MAOA P21397 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
SCHEMBL5853621 0.92 RAB9A (0.37) RAB9ANPC1HTR2BHTR7DRD2
SCHEMBL5854117 0.89 RAB9A (0.39) RAB9ANPC1HTR2BHTR7DRD2
SCHEMBL5853365 0.88 NPC1 (0.38) RAB9ANPC1HTR2BHTR7DRD2
SCHEMBL5853653 0.85 NPC1 (0.36) RAB9ANPC1HTR2BHTR7DRD2
SCHEMBL5852959 0.84 NPC1 (0.39) RAB9ANPC1HTR2BHTR7DRD2
SCHEMBL5855903 0.83 NPC1 (0.48) RAB9ANPC1HTR2BHTR7DRD2
SCHEMBL5853876 0.83 RAB9A (0.39) RAB9ANPC1HTR2BHTR7DRD2
SCHEMBL6702089 0.83 EGFR (0.33) RAB9ANPC1EGFR
SCHEMBL6827121 0.82 EGFR (0.39) RAB9ANPC1EGFR
SCHEMBL5854356 0.81 RAB9A (0.37) RAB9ANPC1HTR2BHTR7DRD2

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