SCHEMBL9515263

SCHEMBL9515263

C=CC(=O)Oc1ccc(CCCCc2ccccc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.74
FFAR1 O14842 2/20 0.53
PDE6D O43924 1/20 0.48
THRA P10827 1/20 0.48
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
MAPT P10636 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
HDAC1 Q13547 4/20 0.46
S1PR1 P21453 3/20 0.46
HDAC3 O15379 1/20 0.46
MAPK1 P28482 1/20 0.46
ADRA1A P35348 1/20 0.46
HDAC4 P56524 1/20 0.46
SLC6A3 Q01959 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46

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
SCHEMBL24517163 0.91 THRB (0.81) THRBFFAR1THRA
SCHEMBL242424 0.90 THRB (0.78) THRBFFAR1PDE6DTHRAPPARG
SCHEMBL19456765 0.88 THRB (0.77) THRBFFAR1PDE6DTHRAMAPT
SCHEMBL2432065 0.86 THRB (0.60) THRBPDE6DPPARGPPARAMAPK1
SCHEMBL17791334 0.86 THRB (0.79) THRBFFAR1PDE6DTHRAPPARG
SCHEMBL11031162 0.85 THRB (1.00) THRBTHRASLC6A3HPGD
SCHEMBL28011377 0.85 THRB (0.80) THRBTHRAPPARGPPARA
SCHEMBL13051048 0.84 THRB (0.59) THRBFFAR1PDE6DPPARGPPARA
SCHEMBL10651481 0.84 THRB (0.97) THRBTHRASLC6A3
SCHEMBL6931228 0.84 THRB (0.97) THRBTHRASLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1845911-B Condensed ring compound and use thereof ONO PHARMACEUTICAL CO 2012-07-04 CN disclosed
CN-1845911-A Condensed ring compound and use thereof ONO PHARMACEUTICAL CO (JP) 2006-10-11 CN disclosed
EP-0393547-B1 Thermoplastic mouldings based on vinyl chloride BASF AG (DE) 1993-11-18 EP disclosed
US-5166270-A Blend with polymer of aromatic unsaturated ester; high heat distortion resistance BASF AKTIENGESELLSCHAFT (DE) 1992-11-24 US disclosed
EP-0393547-A1 Thermoplastic mouldings based on vinyl chloride BASF Aktiengesellschaft (DE) 1990-10-24 EP disclosed