SCHEMBL5853151

SCHEMBL5853151

CCC(=O)N[Ti](Cl)(Cl)(C1C=Cc2ccccc21)[SiH](c1ccccc1)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL5853727 0.91 ALOX5 (0.34) MTNR1AMTNR1BCYP3A4MAPK1CYP2C19
SCHEMBL5853822 0.89 ALDH1A1 (0.34) MEN1TSHRKMT2AGAA
SCHEMBL5853360 0.88 EPHX2 (0.37) MEN1KMT2A
SCHEMBL5855123 0.87 EPHX2 (0.39) MEN1KMT2A
SCHEMBL5853323 0.87 EPHX2 (0.39) MEN1KMT2A
SCHEMBL5854229 0.87 SIGMAR1 (0.30) SIGMAR1MTNR1AMTNR1BMEN1CYP1A2
SCHEMBL5854622 0.87 MEN1 (0.31) MEN1ALOX15KMT2AMAPT
SCHEMBL5852661 0.84 ALDH1A1 (0.32) GAAMAPT
SCHEMBL5853329 0.83 ATM (0.32) MEN1ALOX15MAPK1KMT2A
SCHEMBL5852797 0.81 TAS1R3 (0.34)

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 2 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
US-20040242814-A1 COPOLYMERS OF ETHYLENE AND/OR ALPHA-OLEFINS AND VICINALLY DISUBSTITUTED OLEFINS EXXONMOBIL CHEMICAL PATENTS INC. 2004-12-02 US disclosed