SCHEMBL5854769

SCHEMBL5854769

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
LMNA P02545 1/20 0.40
SOAT1 P35610 3/20 0.39
NAMPT P43490 2/20 0.39
EPHX2 P34913 1/20 0.37
SOAT2 O75908 1/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
P2RX7 Q99572 1/20 0.35
POLB P06746 2/20 0.35
ASAH1 Q13510 2/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ALDH1A1 P00352 1/20 0.34
ACER2 Q5QJU3 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34

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
SCHEMBL5854135 1.00 GAA (0.40) GAALMNASOAT1NAMPTEPHX2
SCHEMBL5853085 0.99 GAA (0.39) GAALMNASOAT1NAMPTEPHX2
SCHEMBL5853999 0.96 NPC1 (0.38) GAALMNASOAT1NAMPTNPC1
SCHEMBL5854675 0.89 GAA (0.42) GAALMNASOAT1NAMPTEPHX2
SCHEMBL5854187 0.89 GAA (0.42) GAALMNASOAT1NAMPTEPHX2
SCHEMBL5853420 0.89 RAB9A (0.40) GAANAMPTNPC1RAB9AMEN1
SCHEMBL5853241 0.88 GAA (0.40) GAALMNASOAT1NAMPTEPHX2
SCHEMBL5855484 0.85 NPC1 (0.40) GAALMNASOAT1NAMPTNPC1
SCHEMBL5855645 0.83 RAB9A (0.48) NPC1RAB9AMAPK1HSD17B10ALDH1A1
SCHEMBL5853569 0.83 MEN1 (0.43) LMNANPC1RAB9AMEN1KMT2A

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