SCHEMBL6911178

SCHEMBL6911178

CCCCCc1cc(F)c2c(c1)Cc1cc(OCCC)c(F)c(F)c1-2

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 4/20 0.32
▸ CNR2 P34972 4/20 0.32
▸ HTR2A P28223 2/20 0.32
▸ THRB P10828 2/20 0.32
▸ ACE2 Q9BYF1 2/20 0.32
▸ THRA P10827 1/20 0.32
▸ PTGS2 P35354 4/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ HTT P42858 3/20 0.31
▸ MAPT P10636 2/20 0.31
▸ MAPK1 P28482 2/20 0.31
▸ APAF1 O14727 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ S1PR2 O95136 1/20 0.30
▸ S1PR1 P21453 1/20 0.30
▸ S1PR3 Q99500 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
SCHEMBL6914629 0.91 — —
SCHEMBL17196190 0.80 HTR2C (0.32) HTR2ATHRBTHRAHTR2CHTT
SCHEMBL6911923 0.80 PTGS2 (0.35) HTR2APTGS2CYP3A4DRD2SLC6A2
SCHEMBL6914464 0.78 S1PR1 (0.33) L3MBTL1S1PR1NPC1SMN1; SMN2
SCHEMBL17108422 0.76 TSHR (0.34) HTR2AHTR2CHTTMAPTMAPK1
SCHEMBL6907317 0.76 RARB (0.44) HTR2APTGS2CYP3A4DRD2SLC6A2
SCHEMBL6912686 0.75 RARB (0.37) HTR2APTGS2CYP3A4DRD2SLC6A2
SCHEMBL6912143 0.74 CSNK2A1 (0.33) CNR1CNR2HTR2AHTR2CL3MBTL1
SCHEMBL18006905 0.71 — —
SCHEMBL20819699 0.71 RARB (0.37) HTR2ATHRBHTTMAPTMAPK1

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
EP-1223210-B1 Polyfluorinated fluorenes and use thereof in liquid crystal mixtures CLARIANT INT LTD (CH) 2004-03-03 — — EP disclosed
EP-1223210-A1 Polyfluorinated fluorenes and use thereof in liquid crystal mixtures CLARIANT INTERNATIONAL LTD. (CH) 2002-07-17 — — EP disclosed
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