SCHEMBL5855207

SCHEMBL5855207

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51
HTR2B P41595 3/20 0.39
HTR2C P28335 2/20 0.39
CYP1A2 P05177 1/20 0.39
ADRA2A P08913 1/20 0.39
MAOA P21397 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
HTR7 P34969 2/20 0.37
PNMT P11086 1/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HSP90AA1 P07900 1/20 0.33
SRD5A2 P31213 1/20 0.31
DRD2 P14416 3/20 0.31
DRD4 P21917 2/20 0.31
DRD3 P35462 2/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL5855645 0.87 RAB9A (0.48) RAB9ANPC1HTR2BHTR2CCYP1A2
SCHEMBL5853766 0.87 RAB9A (0.42) RAB9ANPC1HTR2BHTR2CCYP1A2
SCHEMBL5852904 0.87 NPC1 (0.42) RAB9ANPC1HTR2BHTR2CCYP1A2
SCHEMBL5854947 0.87 RAB9A (0.42) RAB9ANPC1HTR2BHTR2CCYP1A2
SCHEMBL5854441 0.86 NPC1 (0.44) RAB9ANPC1HTR2BHTR7PNMT
SCHEMBL5854568 0.85 RAB9A (0.41) RAB9ANPC1HTR2BHTR2CCYP1A2
SCHEMBL5852838 0.84 NPC1 (0.40) RAB9ANPC1HTR2BHTR7ALDH1A1
SCHEMBL5855484 0.84 NPC1 (0.40) RAB9ANPC1HTR2BHTR7PNMT
SCHEMBL5853077 0.84 NPC1 (0.40) RAB9ANPC1HTR2BHTR7ALDH1A1
SCHEMBL5854780 0.83 NPC1 (0.39) RAB9ANPC1HTR2BHTR7ALDH1A1

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