SCHEMBL5853443

SCHEMBL5853443

CCCCC(=O)N[Hf](Cl)(Cl)(C1C=Cc2ccccc21)[SiH](c1ccccc1)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
HTT P42858 2/20 0.34
NPSR1 Q6W5P4 1/20 0.33
ADORA1 P30542 2/20 0.33
POLB P06746 2/20 0.33
ADORA3 P0DMS8 1/20 0.33
EPHX2 P34913 1/20 0.33
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CETP P11597 1/20 0.32
KDM4E B2RXH2 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TSHR P16473 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
SCHEMBL5853445 0.97 EPHX2 (0.37) ALDH1A1POLBEPHX2MEN1KMT2A
SCHEMBL5852540 0.96 EPHX2 (0.39) ALDH1A1POLBEPHX2MEN1KMT2A
SCHEMBL5854309 0.96 EPHX2 (0.39) ALDH1A1POLBEPHX2MEN1KMT2A
SCHEMBL5853677 0.94 ALOX5 (0.34) ALDH1A1HTTADORA1ADORA3L3MBTL1
SCHEMBL5852698 0.89 SIGMAR1 (0.31) MEN1KMT2AGAATSHR
SCHEMBL5853176 0.88 CETP (0.36) ALDH1A1HTTNPSR1ADORA1POLB
SCHEMBL5855507 0.85 NPC1 (0.37) ALDH1A1POLBEPHX2L3MBTL1MEN1
SCHEMBL5852903 0.84 CETP (0.39) ALDH1A1POLBEPHX2L3MBTL1MEN1
SCHEMBL5853905 0.84 CETP (0.39) ALDH1A1POLBEPHX2L3MBTL1MEN1
SCHEMBL5855014 0.84 MAPK1 (0.41) ALDH1A1POLBL3MBTL1MEN1KMT2A

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