SCHEMBL15445820

SCHEMBL15445820

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.36
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
CYP1A2 P05177 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
PPARG P37231 1/20 0.32
PLA2G2D Q9UNK4 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
GRM2 Q14416 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
PTGES O14684 1/20 0.32
ALOX5 P09917 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 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
SCHEMBL26045153 0.97 RIPK1 (0.36) RIPK1HTR2AHTR2CHTR2BL3MBTL1
SCHEMBL15445823 0.96 RIPK1 (0.37) RIPK1HTR2AHTR2CHTR2BCYP1A2
SCHEMBL9562331 0.96 RIPK1 (0.37) RIPK1HTR2AHTR2CHTR2BCYP1A2
SCHEMBL9562322 0.96 RIPK1 (0.37) RIPK1HTR2AHTR2CHTR2BCYP1A2
SCHEMBL9562314 0.96 RIPK1 (0.37) RIPK1HTR2AHTR2CHTR2BCYP1A2
SCHEMBL15445806 0.96 RIPK1 (0.38) RIPK1HTR2AHTR2CHTR2BCYP1A2
SCHEMBL9562442 0.95 RIPK1 (0.36) RIPK1HTR2AHTR2CHTR2BCYP1A2
SCHEMBL9562435 0.95 RIPK1 (0.36) RIPK1HTR2AHTR2CHTR2BCYP1A2
SCHEMBL15445814 0.95 RIPK1 (0.36) RIPK1HTR2AHTR2CHTR2BL3MBTL1
SCHEMBL26045152 0.95 RIPK1 (0.36) RIPK1HTR2AHTR2CHTR2BCYP1A2

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