SCHEMBL17589056

SCHEMBL17589056

CCCCOc1ccc(C2CCC(C3CCC(CC)CC3)CC2)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.36
HTR1D P28221 2/20 0.33
HTR1B P28222 2/20 0.33
CYP1A2 P05177 2/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
PDE4A P27815 3/20 0.31
PDE4D Q08499 3/20 0.31
PDE4B Q07343 2/20 0.31
PDE4C Q08493 2/20 0.31
HTR2C P28335 2/20 0.30
HTR2B P41595 2/20 0.30
RAB9A P51151 1/20 0.30
HTR2A P28223 1/20 0.30
MAPK1 P28482 2/20 0.30
TNF P01375 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30

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
SCHEMBL9631162 0.96 SCN9A (0.34) SCN9AHTR1DHTR1BHTR2CHTR2B
SCHEMBL9631157 0.96 SCN9A (0.34) SCN9AHTR1DHTR1BHTR2CHTR2B
SCHEMBL25693792 0.96 SCN9A (0.38) SCN9AHTR1DHTR1BCYP1A2CYP2C9
SCHEMBL19985183 0.95 CNR1 (0.34) SCN9AHTR1DHTR1BL3MBTL1
SCHEMBL19985176 0.95 CNR1 (0.34) SCN9AHTR1DHTR1BL3MBTL1
SCHEMBL19985198 0.95 CNR1 (0.34) SCN9AHTR1DHTR1BL3MBTL1
SCHEMBL9632532 0.95 CNR1 (0.34) SCN9AHTR1DHTR1BL3MBTL1
SCHEMBL9632540 0.95 CNR1 (0.34) SCN9AHTR1DHTR1BL3MBTL1
SCHEMBL13405762 0.94 HTR2C (0.36) SCN9AHTR1DHTR1BPDE4AHTR2C
SCHEMBL9631942 0.92 SCN9A (0.36) SCN9AHTR1DHTR1BCYP1A2CYP2C9

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 6 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-20230183572-A1 LIQUID CRYSTAL COMPOSITION WITH GOOD FREQUENCY DEPENDENCE AND LIQUID CRYSTAL DISPLAY ELEMENT SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIAL CO., LTD. (CN) 2023-06-15 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-9938463-B2 Liquid crystal composition and liquid crystal display device using the same DIC CORPORATION (JP) 2018-04-10 US disclosed
US-20180079959-A1 LIQUID CRYSTAL ELEMENT WITH NEGATIVE DIELECTRIC ANISOTROPY DIC CORPORATION (JP) 2018-03-22 US disclosed
US-20160075946-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME DIC CORPORATION (JP) 2016-03-17 US disclosed