SCHEMBL5855136

SCHEMBL5855136

CCCCC(=O)N[Ti](Cl)(Cl)(C1C=Cc2ccccc21)[SiH](C)C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
TSHR P16473 1/20 0.35
CETP P11597 1/20 0.34
ADORA1 P30542 1/20 0.34
ALDH1A1 P00352 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
POLB P06746 2/20 0.32
HPGD P15428 2/20 0.32
EPHX2 P34913 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.31
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GAA P10253 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
SCHEMBL5853596 0.97 EPHX2 (0.36) CETPALDH1A1POLBEPHX2MEN1
SCHEMBL5854935 0.96 EPHX2 (0.38) CETPALDH1A1EPHX2MEN1KMT2A
SCHEMBL5853680 0.96 EPHX2 (0.38) CETPALDH1A1EPHX2MEN1KMT2A
SCHEMBL5853240 0.93 ALOX5 (0.33) HTTADORA1ALDH1A1HPGDL3MBTL1
SCHEMBL5854229 0.88 SIGMAR1 (0.30) TSHRMEN1KMT2A
SCHEMBL5853822 0.88 ALDH1A1 (0.34) HTTTSHRCETPADORA1ALDH1A1
SCHEMBL5853360 0.85 EPHX2 (0.37) ALDH1A1POLBEPHX2MEN1KMT2A
SCHEMBL5855123 0.84 EPHX2 (0.39) CETPALDH1A1POLBEPHX2MEN1
SCHEMBL5853323 0.84 EPHX2 (0.39) CETPALDH1A1POLBEPHX2MEN1
SCHEMBL6066945 0.83

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