SCHEMBL5852890

SCHEMBL5852890

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
HTR2B P41595 2/20 0.37
HTR7 P34969 1/20 0.37
KCNK3 O14649 3/20 0.33
KCNK9 Q9NPC2 3/20 0.33
DRD2 P14416 2/20 0.33
DRD4 P21917 2/20 0.33
DRD3 P35462 2/20 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
EGFR P00533 1/20 0.32
CYP1A2 P05177 1/20 0.32
ADRA2A P08913 1/20 0.32
MAOA P21397 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32

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
SCHEMBL5854736 0.92 RAB9A (0.39) RAB9ANPC1HTR2BHTR7EGFR
SCHEMBL5853793 0.90 RAB9A (0.37) RAB9ANPC1HTR2BHTR7KCNK3
SCHEMBL5853077 0.87 NPC1 (0.40) RAB9ANPC1HTR2BHTR7DRD2
SCHEMBL5853266 0.84 NPC1 (0.38) RAB9ANPC1HTR2BHTR7DRD2
SCHEMBL5854947 0.84 RAB9A (0.42) RAB9ANPC1HTR2BHTR7DRD2
SCHEMBL5853467 0.83 RAB9A (0.37) RAB9ANPC1HTR2BHTR7DRD2
SCHEMBL5855207 0.82 RAB9A (0.51) RAB9ANPC1HTR2BHTR7DRD2
SCHEMBL5854568 0.82 RAB9A (0.41) RAB9ANPC1HTR2BHTR7DRD2
SCHEMBL5852815 0.80 RAB9A (0.39) RAB9ANPC1HTR2BHTR7DRD2
SCHEMBL5852904 0.79 NPC1 (0.42) 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 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