SCHEMBL28755446

SCHEMBL28755446

CCCC[C@H]1CC[C@H](COc2ccc(-c3ccc(OCC)c(F)c3F)c(F)c2F)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.37
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
CYP1A2 P05177 2/20 0.34
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GRM2 Q14416 3/20 0.33
PTGDR2 Q9Y5Y4 2/20 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
SCHEMBL15445793 0.94 RIPK1 (0.40) RIPK1HTR2AHTR2CHTR2BCYP1A2
SCHEMBL13967524 0.94 RIPK1 (0.40) RIPK1HTR2AHTR2CHTR2BCYP1A2
SCHEMBL12032196 0.92 KDM1A (0.34) RIPK1HTR2AHTR2CHTR2BCYP1A2
SCHEMBL1311479 0.92 RIPK1 (0.38) RIPK1HTR2AHTR2CHTR2BPTGDR2
SCHEMBL9562655 0.90 RIPK1 (0.38) RIPK1HTR2AHTR2CHTR2BCYP1A2
SCHEMBL15445818 0.90 RIPK1 (0.38) RIPK1HTR2AHTR2CHTR2BCYP1A2
SCHEMBL9562673 0.90 RIPK1 (0.38) RIPK1HTR2AHTR2CHTR2BCYP1A2
SCHEMBL9562663 0.90 RIPK1 (0.38) RIPK1HTR2AHTR2CHTR2BCYP1A2
SCHEMBL9406197 0.90 RIPK1 (0.39) RIPK1HTR2AHTR2CHTR2BCYP1A2
SCHEMBL9406194 0.90 RIPK1 (0.39) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114573599-A Photoisomerizable chiral molecules and application thereof in realizing color liquid crystal film patterning 苏州大学 2022-06-03 CN claimed
CN-114573599-A Photoisomerizable chiral molecules and application thereof in realizing color liquid crystal film patterning 苏州大学 2022-06-03 CN disclosed