SCHEMBL8772645

SCHEMBL8772645

CCCCCCCCCOc1c(OC)cc(CCCO)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 1/20 0.54
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
S1PR2 O95136 1/20 0.46
S1PR1 P21453 1/20 0.46
S1PR3 Q99500 1/20 0.46
LPAR2 Q9HBW0 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
SCHEMBL8772722 0.91 TNKS2 (0.51) TNKS2HTR2AHTR2CHTR2BPPARG
SCHEMBL22609994 0.89 TNKS2 (0.62) TNKS2HTR2AHTR2CHTR2B
SCHEMBL12338366 0.86 HTR2A (0.50) TNKS2HTR2AHTR2CHTR2B
SCHEMBL9124419 0.86 S1PR2 (0.48) S1PR2S1PR1S1PR3LPAR2
SCHEMBL19194199 0.84 TNKS2 (0.47) TNKS2HTR2AHTR2CHTR2B
SCHEMBL27570422 0.84 TNKS2 (0.53) TNKS2HTR2AHTR2CHTR2BPPARG
SCHEMBL20436811 0.83 S1PR2 (0.46) S1PR2S1PR1S1PR3LPAR2
SCHEMBL8772750 0.83 HTR2A (0.47) HTR2AHTR2CHTR2B
SCHEMBL15270668 0.83 THRA (0.48) S1PR1
SCHEMBL2007007 0.80 TNKS2 (0.68) TNKS2HTR2AHTR2CHTR2B

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
EP-0801071-A1 LEWIS X DERIVATIVE AND PROCESS FOR PRODUCING THE SAME SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1997-10-15 EP disclosed