SCHEMBL7795403

SCHEMBL7795403

CCCCCCCCC(F)COc1ccc(-c2cnc(-c3ccc(OC(=O)C(C)CCCC(C)C)cc3F)nc2)cc1F

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.35
▸ AAK1 Q2M2I8 2/20 0.35
▸ FAAH O00519 5/20 0.33
▸ FFAR4 Q5NUL3 6/20 0.32
▸ PTGS2 P35354 5/20 0.31
▸ THRA P10827 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ RARB P10826 1/20 0.31

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
SCHEMBL7093761 0.91 THRA (0.38) CYP3A4AAK1FAAHTHRATHRB
SCHEMBL7793990 0.89 AAK1 (0.35) CYP3A4AAK1FAAHTHRATHRB
SCHEMBL7091140 0.86 RARB (0.37) FAAHPTGS2RARB
SCHEMBL7094260 0.83 RARB (0.46) THRATHRBRARB
SCHEMBL7092881 0.83 THRA (0.41) FAAHTHRATHRBRARB
SCHEMBL8651883 0.83 S1PR4 (0.36) FAAHFFAR4THRATHRBRARB
SCHEMBL8651886 0.83 S1PR4 (0.36) FAAHFFAR4THRATHRBRARB
SCHEMBL7791058 0.82 FAAH (0.37) FAAHTHRATHRBRARB
SCHEMBL7794964 0.81 RARB (0.40) CYP3A4RARB
SCHEMBL7795422 0.81 MGLL (0.37) CYP3A4AAK1THRATHRBRARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0821050-B1 Optically active compound and antiferroelectric liquid crystal composition containing the same SEMICONDUCTOR ENERGY LAB (JP) 2001-11-28 — — EP disclosed
US-5820782-A LOW THRESHOLD VOLTAGE AND LOW VISCOSITY; PYRIMIDINE-BASED COMPOUND TAKASAGO INTERNATIONAL CORPORATION (JP) 1998-10-13 — — US disclosed
EP-0821050-A1 Optically active compound and antiferroelectric liquid crystal composition containing the same Takasago International Corporation (JP) 1998-01-28 — — EP disclosed
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