SCHEMBL31320366

SCHEMBL31320366

CCCCC[C@@H](C(F)(F)F)C(C)(C)c1cc(O)cc(O)c1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.40
CYP3A4 P08684 1/20 0.40
ADRB2 P07550 7/20 0.38
CNR1 P21554 5/20 0.34
CNR2 P34972 5/20 0.34
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33

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
SCHEMBL31320426 1.00 PTGS2 (0.40) PTGS2CYP3A4ADRB2CNR1CNR2
SCHEMBL31320428 1.00 PTGS2 (0.40) PTGS2CYP3A4ADRB2CNR1CNR2
SCHEMBL31320431 0.79 PTGS2 (0.38) PTGS2CYP3A4CNR1CNR2
SCHEMBL11827353 0.79 ADRB2 (0.44) PTGS2CYP3A4ADRB2CNR1CNR2
SCHEMBL31544989 0.78 PTGS2 (0.46) PTGS2CYP3A4ADRB2CNR1CNR2
SCHEMBL31320383 0.78 PTGS2 (0.46) PTGS2CYP3A4ADRB2CNR1CNR2
SCHEMBL31320421 0.78 PTGS2 (0.46) PTGS2CYP3A4ADRB2CNR1CNR2
SCHEMBL31545832 0.78 PTGS2 (0.44) PTGS2CYP3A4ADRB2CNR1CNR2
SCHEMBL31320348 0.76 ADRB2 (0.42) PTGS2CYP3A4ADRB2CNR1CNR2
SCHEMBL31320362 0.73 MEN1 (0.39) PTGS2CYP3A4ADRB2

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-4727648-A1 CANNABINOID RECEPTOR 2 MODULATORS F. Hoffmann-La Roche AG (CH) 2026-04-22 EP disclosed
WO-2024256505-A1 CANNABINOID RECEPTOR 2 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2024-12-19 WO disclosed