SCHEMBL6940529

SCHEMBL6940529

CCCCCC[C@H](C)Oc1ccc(-c2ccc(O)c(F)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 16/20 0.48
FAAH O00519 2/20 0.48
CNR1 P21554 2/20 0.48
CYP17A1 P05093 1/20 0.42
RARB P10826 3/20 0.40
RARA P10276 2/20 0.40
RARG P13631 1/20 0.40

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
SCHEMBL13721576 0.89 MGLL (0.40) MGLLFAAHCNR1
SCHEMBL26331594 0.89 MGLL (0.40) MGLLFAAHCNR1
SCHEMBL13721573 0.89 MGLL (0.40) MGLLFAAHCNR1
SCHEMBL13721272 0.86 MGLL (0.38) MGLLFAAHCNR1
SCHEMBL16218456 0.86 MGLL (0.39) MGLLFAAHCNR1CYP17A1RARB
SCHEMBL16187783 0.83 RARB (0.41) RARB
SCHEMBL7775241 0.83 RARB (0.41) RARB
SCHEMBL7775240 0.83 RARB (0.41) RARB
SCHEMBL14392105 0.82 GPR88 (0.36) MGLLCNR1RARB
SCHEMBL7663742 0.82 NR5A1 (0.51) MGLLRARB

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-0962445-B1 Acetylene compound, liquid crystal composition and liquid crystal element MITSUI CHEMICALS INC (JP) 2003-02-26 EP disclosed
US-6217793-B1 Acetylene compound, liquid crystal composition and liquid crystal element MITSUI CHEMICALS, INC. (JP) 2001-04-17 US disclosed
EP-0962445-A1 Acetylene compound, liquid crystal composition and liquid crystal element Mitsui Chemicals, Inc. (JP) 1999-12-08 EP disclosed