SCHEMBL5856940

SCHEMBL5856940

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
MAPT P10636 1/20 0.34
HTR2B P41595 2/20 0.33
HTR7 P34969 1/20 0.33
CYP1A2 P05177 2/20 0.33
ADRA2A P08913 1/20 0.33
MAOA P21397 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
HSP90AA1 P07900 1/20 0.32
LMNA P02545 1/20 0.31
PNMT P11086 1/20 0.31
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31
SRD5A2 P31213 1/20 0.30
MAPK1 P28482 2/20 0.30
KDM4E B2RXH2 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
SCHEMBL5855645 0.88 RAB9A (0.48) RAB9ANPC1HTR2BHTR7CYP1A2
SCHEMBL5852904 0.88 NPC1 (0.42) RAB9ANPC1MAPTHTR2BHTR7
SCHEMBL5853420 0.85 RAB9A (0.40) RAB9ANPC1MAPTHTR2BHTR7
SCHEMBL5852571 0.84 NPC1 (0.39) RAB9ANPC1MAPTHTR2BHTR7
SCHEMBL5852997 0.84 RAB9A (0.44) RAB9ANPC1MAPTHTR2BHTR7
SCHEMBL5854752 0.84 NPC1 (0.36) RAB9ANPC1HTR2BHTR7HSP90AA1
SCHEMBL5854180 0.83 RAB9A (0.39) RAB9ANPC1MAPTHTR2BHTR7
SCHEMBL5853125 0.82 MAPK14 (0.39) RAB9ANPC1LMNACTSL
SCHEMBL5854305 0.82 NPC1 (0.38) RAB9ANPC1MAPTHTR2BHTR7
SCHEMBL5853999 0.82 NPC1 (0.38) RAB9ANPC1LMNADRD2DRD4

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