SCHEMBL15445800

SCHEMBL15445800

CCCCCOc1ccc(OCC2CCC(C3CCC(CC)CC3)CC2)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RIPK1 Q13546 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
GRM2 Q14416 1/20 0.32
PDE4A P27815 2/20 0.32
PDE4B Q07343 2/20 0.32
PDE4C Q08493 2/20 0.32
PDE4D Q08499 2/20 0.32
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
S1PR5 Q9H228 2/20 0.32
S1PR1 P21453 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32

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) HTR2AHTR2CHTR2BL3MBTL1RIPK1
SCHEMBL9562466 0.96 HTR2A (0.35) HTR2AHTR2CHTR2BL3MBTL1RIPK1
SCHEMBL9562456 0.96 HTR2A (0.35) HTR2AHTR2CHTR2BL3MBTL1RIPK1
SCHEMBL15445810 0.96 HTR2A (0.35) HTR2AHTR2CHTR2BL3MBTL1RIPK1
SCHEMBL15445805 0.96 HTR2A (0.36) HTR2AHTR2CHTR2BL3MBTL1RIPK1
SCHEMBL15445811 0.92 HTR2C (0.36) HTR2AHTR2CHTR2BRIPK1ALDH1A1
SCHEMBL9562605 0.92 HTR2C (0.36) HTR2AHTR2CHTR2BRIPK1ALDH1A1
SCHEMBL9562617 0.92 HTR2C (0.36) HTR2AHTR2CHTR2BRIPK1ALDH1A1
SCHEMBL9562611 0.92 HTR2C (0.36) HTR2AHTR2CHTR2BRIPK1ALDH1A1
SCHEMBL15445807 0.92 HTR2A (0.37) HTR2AHTR2CHTR2BL3MBTL1RIPK1

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-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-20140028964-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2014-01-30 US disclosed