SCHEMBL15445807

SCHEMBL15445807

CCCCOc1ccc(OCC2CCC(CC)CC2)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
HTR2B P41595 2/20 0.37
RIPK1 Q13546 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2C9 P11712 1/20 0.36
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
GRM2 Q14416 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
FFAR4 Q5NUL3 2/20 0.34
PTGES O14684 1/20 0.33
ALOX5 P09917 1/20 0.33
PPARG P37231 1/20 0.33
PSEN1 P49768 1/20 0.33
CYP2D6 P10635 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL9562444 0.96 HTR2A (0.35) HTR2AHTR2CHTR2BRIPK1CYP1A2
SCHEMBL15445810 0.96 HTR2A (0.35) HTR2AHTR2CHTR2BRIPK1CYP1A2
SCHEMBL9562466 0.96 HTR2A (0.35) HTR2AHTR2CHTR2BRIPK1CYP1A2
SCHEMBL9562456 0.96 HTR2A (0.35) HTR2AHTR2CHTR2BRIPK1CYP1A2
SCHEMBL15445805 0.95 HTR2A (0.36) HTR2AHTR2CHTR2BRIPK1PDE4A
SCHEMBL26770233 0.95 HTR2A (0.40) HTR2AHTR2CHTR2BRIPK1CYP1A2
SCHEMBL15445792 0.92 HTR2C (0.38) HTR2AHTR2CHTR2BRIPK1PDE4A
SCHEMBL15445800 0.92 HTR2A (0.34) HTR2AHTR2CHTR2BRIPK1PDE4A
SCHEMBL13417705 0.90 RIPK1 (0.39) HTR2AHTR2CHTR2BRIPK1CYP1A2
SCHEMBL28686148 0.90 RIPK1 (0.39) HTR2AHTR2CHTR2BRIPK1CYP1A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12024665-B2 Polymer-stabilized liquid crystal composition and use thereof BEIJING BAYI SPACE LCD TECHNOLOGY CO., LTD. (CN) 2024-07-02 US disclosed
US-20230265345-A1 LIQUID CRYSTAL COMPOSITION CONTAINING POLYMERIZABLE COMPOUND AND APPLICATION OF LIQUID CRYSTAL COMPOSITION BEIJING BAYI SPACE LCD TECHNOLOGY CO., LTD. (CN) 2023-08-24 US disclosed
US-20230167362-A1 NEGATIVE LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT OR LIQUID CRYSTAL DISPLAY SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MAT CO ITD (CN) 2023-06-01 US disclosed
US-20140028964-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2014-01-30 US disclosed