SCHEMBL5853680

SCHEMBL5853680

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
P2RX7 Q99572 1/20 0.36
CETP P11597 1/20 0.36
SOAT1 P35610 3/20 0.36
ASAH1 Q13510 2/20 0.36
SOAT2 O75908 1/20 0.36
ALDH1A1 P00352 2/20 0.35
EP300 Q09472 1/20 0.35
ACER2 Q5QJU3 1/20 0.35
HDAC8 Q9BY41 4/20 0.35
HDAC3 O15379 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
FAAH O00519 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
SCHEMBL5854935 1.00 EPHX2 (0.38) EPHX2MEN1KMT2AP2RX7CETP
SCHEMBL5853596 0.99 EPHX2 (0.36) EPHX2MEN1KMT2AP2RX7CETP
SCHEMBL5855136 0.96 HTT (0.36) EPHX2MEN1KMT2ACETPALDH1A1
SCHEMBL5853240 0.91 ALOX5 (0.33) MEN1KMT2AALDH1A1
SCHEMBL5853323 0.89 EPHX2 (0.39) EPHX2MEN1KMT2AP2RX7CETP
SCHEMBL5855123 0.89 EPHX2 (0.39) EPHX2MEN1KMT2AP2RX7CETP
SCHEMBL5853360 0.87 EPHX2 (0.37) EPHX2MEN1KMT2AP2RX7SOAT1
SCHEMBL5854229 0.86 SIGMAR1 (0.30) MEN1KMT2A
SCHEMBL5853822 0.84 ALDH1A1 (0.34) EPHX2MEN1KMT2ACETPALDH1A1
SCHEMBL6066945 0.81

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