SCHEMBL5853601

SCHEMBL5853601

CCC(C)N[Zr](Cl)(Cl)(c1cccc2c1Cc1ccccc1-2)[SiH](C)C

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAP3K5 Q99683 2/20 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
SCHEMBL5853401 0.87 PNMT (0.34) PNMTNPC1RAB9A
SCHEMBL5853766 0.78 RAB9A (0.42) PNMTNPC1RAB9ACYP1A2CYP3A4
SCHEMBL7210067 0.78 NPC1 (0.38) PNMTNPC1RAB9ACYP1A2
SCHEMBL5854441 0.77 NPC1 (0.44) PNMTNPC1RAB9A
SCHEMBL5855364 0.77 NPC1 (0.40) PNMTNPC1RAB9A
SCHEMBL5855207 0.76 RAB9A (0.51) PNMTNPC1RAB9ACYP1A2
SCHEMBL5855484 0.75 NPC1 (0.40) PNMTNPC1RAB9AHSD17B10
SCHEMBL5852549 0.75 L3MBTL1 (0.41) NPC1RAB9A
SCHEMBL5351418 0.75 PNMT (0.42) PNMTNPC1RAB9ACYP1A2CYP3A4
SCHEMBL5853241 0.74 GAA (0.40) NPC1RAB9AHSD17B10

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