SCHEMBL8770720

SCHEMBL8770720

CCCCCC[C@@H](OC(=O)C1CCc2cc(OCc3ccccc3)ccc2C1)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FAAH O00519 18/20 0.51
FFAR1 O14842 1/20 0.44
CTRC Q99895 1/20 0.42

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
SCHEMBL9441384 0.91 FAAH (0.47) FAAHFFAR1
SCHEMBL6936301 0.85 OPRK1 (0.38)
SCHEMBL8537183 0.85 OPRK1 (0.38)
SCHEMBL8777445 0.82 NPC1 (0.41)
SCHEMBL8777467 0.81 NPC1 (0.43)
SCHEMBL9441350 0.81 CTRC (0.44) CTRC
SCHEMBL8536428 0.81 FAAH (0.58) FAAHFFAR1
SCHEMBL8777450 0.78 MCHR1 (0.38) FAAH
SCHEMBL8777453 0.78 RARB (0.41) FAAH
SCHEMBL630776 0.78 FAAH (0.64) FAAHFFAR1

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
EP-0549347-B1 Novel carboxylate compounds, liquid crystal materials, liquid crystal compositions and liquid crystal elements MITSUI PETROCHEMICAL IND (JP) 1997-10-29 EP disclosed
EP-0566380-B1 Carboxylic acid ester compound, liquid crystal material, liquid crystal compositions and liquid crystal element MITSUI PETROCHEMICAL IND (JP) 1997-08-06 EP disclosed
US-5356561-A Carboxylate compounds, liquid crystal compositions and liquid crystal elements containing said compounds and method of optical modulation using said elements MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1994-10-18 US disclosed
US-5322639-A Display elements; high speed switching MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1994-06-21 US disclosed
EP-0566380-A2 Carboxylic acid ester compound, liquid crystal material, liquid crystal compositions and liquid crystal element MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1993-10-20 EP disclosed
EP-0549347-A1 Novel carboxylate compounds, liquid crystal materials, liquid crystal compositions and liquid crystal elements MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1993-06-30 EP disclosed