SCHEMBL13586090

SCHEMBL13586090

CCOCc1ccc(-c2ccc(COc3ccc(C4CCC(OC)CC4)c(F)c3F)cc2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 10/20 0.39
▸ SLC6A2 P23975 4/20 0.36
▸ SLC6A4 P31645 4/20 0.36
▸ SLC6A3 Q01959 4/20 0.36
▸ HTR1A P08908 3/20 0.36
▸ HTR6 P50406 1/20 0.34
▸ FAAH O00519 1/20 0.34
▸ RXRG P48443 1/20 0.33
▸ F10 P00742 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ NR1H4 Q96RI1 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
SCHEMBL12736382 0.91 NAAA (0.37) NAAASLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL12823406 0.90 NAAA (0.36) NAAASLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL12822799 0.88 NAAA (0.43) NAAASLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL13586089 0.87 NAAA (0.33) NAAAFAAH
SCHEMBL12822741 0.87 NAAA (0.51) NAAASLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL13586277 0.86 FEN1 (0.36) NAAASLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL13586103 0.86 FEN1 (0.36) NAAASLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL13586127 0.86 HTR6 (0.38) NAAASLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL13586116 0.85 FFAR4 (0.36) NAAAHTR6NR1H4
SCHEMBL13586333 0.85 ALOX5AP (0.36) NAAAFAAHFEN1

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
WO-2009150966-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2009-12-17 — — WO disclosed
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