SCHEMBL28697245

SCHEMBL28697245

CCCCCOc1ccc(OC[C@H]2CC[C@H](CCC)CC2)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.38
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
HTR2B P41595 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
PLA2G2D Q9UNK4 1/20 0.34
PPARG P37231 1/20 0.34
SMPD1 P17405 3/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
ESR1 P03372 1/20 0.33
GRM2 Q14416 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 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
SCHEMBL15445794 1.00 RIPK1 (0.38) RIPK1HTR2AHTR2CHTR2BL3MBTL1
SCHEMBL15445814 0.96 RIPK1 (0.36) RIPK1HTR2AHTR2CHTR2BL3MBTL1
SCHEMBL28686148 0.96 RIPK1 (0.39) RIPK1HTR2AHTR2CHTR2BL3MBTL1
SCHEMBL13417705 0.96 RIPK1 (0.39) RIPK1HTR2AHTR2CHTR2BL3MBTL1
SCHEMBL9405733 0.94 RIPK1 (0.38) RIPK1HTR2AHTR2CHTR2BL3MBTL1
SCHEMBL9405737 0.94 RIPK1 (0.38) RIPK1HTR2AHTR2CHTR2BL3MBTL1
SCHEMBL15445806 0.94 RIPK1 (0.38) RIPK1HTR2AHTR2CHTR2BL3MBTL1
SCHEMBL9405851 0.93 RIPK1 (0.38) RIPK1HTR2AHTR2CHTR2BL3MBTL1
SCHEMBL9406207 0.93 RIPK1 (0.38) RIPK1HTR2AHTR2CHTR2BL3MBTL1
SCHEMBL9406093 0.93 RIPK1 (0.38) RIPK1HTR2AHTR2CHTR2BL3MBTL1

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-113980686-B Preparation method of lateral o-difluorobenzene liquid crystal compound containing cyclohexyl 宁夏中星显示材料有限公司 2023-10-10 CN disclosed
CN-113980686-A Preparation method of cyclohexyl-containing lateral o-difluorobenzene liquid crystal compound 宁夏中星显示材料有限公司 2022-01-28 CN disclosed