SCHEMBL8214535

SCHEMBL8214535

CCCCCCOc1ccc(-c2ccc(C/C=C/C=C/C(=O)O)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.56
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
PLA2G4B P0C869 4/20 0.49
S1PR1 P21453 6/20 0.47
S1PR3 Q99500 5/20 0.47
PTPN11 Q06124 1/20 0.46
S1PR5 Q9H228 4/20 0.46
PLA2G4A P47712 1/20 0.45

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
SCHEMBL8214518 1.00 RARB (0.56) RARBTP53TSHRPLA2G4BS1PR1
SCHEMBL8214349 1.00 RARB (0.56) RARBTP53TSHRPLA2G4BS1PR1
SCHEMBL8216185 0.99 RARB (0.54) RARBTP53TSHRPLA2G4BS1PR1
SCHEMBL8220584 0.96 RARB (0.50) RARBTP53TSHRPLA2G4B
SCHEMBL8217238 0.91 LMNA (0.49) RARB
SCHEMBL1667028 0.87 TP53 (0.57) RARBTP53TSHRPLA2G4BS1PR1
SCHEMBL1667029 0.87 TP53 (0.57) RARBTP53TSHRPLA2G4BS1PR1
SCHEMBL8208890 0.85 RARB (0.57) RARB
SCHEMBL8219844 0.83 RARB (0.56) RARB
SCHEMBL8207836 0.79 MCL1 (0.46) RARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6106908-A OPTICAL APPARATUS WITH LIQUID CRYSTAL COMPOUNDS THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 2000-08-22 US disclosed