SCHEMBL5855484

SCHEMBL5855484

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GAA P10253 2/20 0.36
LMNA P02545 1/20 0.36
NAMPT P43490 3/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.34
TSHR P16473 1/20 0.34
SOAT1 P35610 2/20 0.33
DRD3 P35462 1/20 0.33
PNMT P11086 1/20 0.33
HTR7 P34969 1/20 0.33
HTR2B P41595 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
CETP P11597 1/20 0.33

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
SCHEMBL5853241 0.97 GAA (0.40) NPC1RAB9AALOX15MAPK1HSD17B10
SCHEMBL5854675 0.96 GAA (0.42) NPC1RAB9AGAALMNANAMPT
SCHEMBL5854187 0.96 GAA (0.42) NPC1RAB9AGAALMNANAMPT
SCHEMBL5854441 0.93 NPC1 (0.44) NPC1RAB9AGAALMNAALDH1A1
SCHEMBL5853766 0.90 RAB9A (0.42) NPC1RAB9ALMNANAMPTALDH1A1
SCHEMBL5853999 0.89 NPC1 (0.38) NPC1RAB9AALOX15MAPK1HSD17B10
SCHEMBL5853085 0.85 GAA (0.39) NPC1RAB9AALOX15MAPK1HSD17B10
SCHEMBL5854135 0.85 GAA (0.40) NPC1RAB9AALOX15MAPK1HSD17B10
SCHEMBL5854769 0.85 GAA (0.40) NPC1RAB9AALOX15MAPK1HSD17B10
SCHEMBL5855207 0.84 RAB9A (0.51) NPC1RAB9AMAPK1LMNAALDH1A1

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