SCHEMBL6666031

SCHEMBL6666031

CCCc1ccc(CCOC(F)(F)c2ccc(CC)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.37
EDNRB P24530 2/20 0.34
EDNRA P25101 2/20 0.34
LPL P06858 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
PLK1 P53350 1/20 0.34
KIF11 P52732 2/20 0.33
IDO1 P14902 2/20 0.33
FAAH O00519 1/20 0.33
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33
PTPN6 P29350 1/20 0.33
PTPN11 Q06124 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CA2 P00918 1/20 0.33
ALDH1A1 P00352 1/20 0.32
THRB P10828 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
SCHEMBL6661122 0.95 TAAR1 (0.37) TAAR1LPLLIPGPLK1KIF11
SCHEMBL6660763 0.90 TAAR1 (0.46) TAAR1IDO1ALDH1A1
SCHEMBL6662025 0.90 TAAR1 (0.46) TAAR1IDO1ALDH1A1
SCHEMBL6666969 0.89 FAAH (0.47) LPLLIPGFAAHPTPN2PTPN1
SCHEMBL6661139 0.89 ALDH1A1 (0.41) TAAR1IDO1L3MBTL1ALDH1A1
SCHEMBL6667001 0.89 L3MBTL1 (0.45) TAAR1EDNRBEDNRAIDO1L3MBTL1
SCHEMBL6666700 0.88 TSHR (0.41) KIF11ALDH1A1
SCHEMBL6662747 0.87 FAAH (0.44) LPLLIPGFAAHPTPN2PTPN1
SCHEMBL6661962 0.87 FAAH (0.44) LPLLIPGFAAHPTPN2PTPN1
SCHEMBL6664946 0.86 TSHR (0.42) EDNRBEDNRAKIF11ALDH1A1

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