SCHEMBL6661132

SCHEMBL6661132

CCCc1ccc(COC(F)(F)Cc2ccc(CCC)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 2/20 0.38
LIPG Q9Y5X9 2/20 0.38
GPR84 Q9NQS5 1/20 0.36
CA2 P00918 1/20 0.36
PTPN1 P18031 1/20 0.36
THRB P10828 1/20 0.35
MGLL Q99685 1/20 0.34
PLK1 P53350 1/20 0.34
POLB P06746 2/20 0.34
CTDSP1 Q9GZU7 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
ESR1 P03372 2/20 0.33
ADRA2A P08913 2/20 0.33
ADORA3 P0DMS8 2/20 0.33
TACR2 P21452 2/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 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
SCHEMBL6666035 0.95 TAAR1 (0.38) LPLLIPGGPR84CA2PTPN1
SCHEMBL6661146 0.93 ALDH1A1 (0.42) ALDH1A1GAALMNA
SCHEMBL6661972 0.92 ESR1 (0.47) LPLLIPGCA2MGLLKDM4E
SCHEMBL6662752 0.92 ESR1 (0.47) LPLLIPGCA2MGLLKDM4E
SCHEMBL6660767 0.92 IDO1 (0.47) PTPN1
SCHEMBL6666711 0.89 TSHR (0.42) GPR84THRBALDH1A1SLC6A4SLC6A3
SCHEMBL6665297 0.87 TSHR (0.44) KDM4EGAALMNAHSD17B10
SCHEMBL6662961 0.87 ESR1 (0.50) LPLLIPGCA2MGLLKDM4E
SCHEMBL6665134 0.87 MAOA (0.35) LPLLIPGGPR84POLBCTDSP1
SCHEMBL6663312 0.86 PPARG (0.39) THRBPOLBALDH1A1GAALMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0893423-B1 LIQUID CRYSTAL COMPOUNDS HAVING FLUORINATED LINKAGES, LIQUID CRYSTAL COMPOSITIONS, AND LIQUID CRYSTAL DISPLAY DEVICES CHISSO CORP (JP) 2004-09-01 EP disclosed