SCHEMBL9577653

SCHEMBL9577653

CCCCCCOC(OCCCCCC)C(=O)c1ccccc1.CCCCOC(OCCCC)C(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
TP53 P04637 1/20 0.54
PLA2G4B P0C869 6/20 0.53
RARB P10826 3/20 0.50
PLA2G4A P47712 1/20 0.48
LMNA P02545 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
NAAA Q02083 1/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PLK1 P53350 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
SCHEMBL7589520 0.98 TSHR (0.51) TSHRTP53PLA2G4BRARBPLA2G4A
SCHEMBL131571 0.95 LMNA (0.47) TSHRTP53PLA2G4BRARBLMNA
SCHEMBL9005002 0.92 LMNA (0.45) TSHRTP53PLA2G4BRARBLMNA
SCHEMBL10942655 0.91 ELANE (0.50) LMNAALDH1A1GAASMN1; SMN2
SCHEMBL9004805 0.90 TP53 (0.47) TSHRTP53PLA2G4BRARBPLA2G4A
SCHEMBL1194007 0.86 TSHR (0.51) TSHRTP53PLA2G4BRARBPLA2G4A
SCHEMBL2808852 0.85 LMNA (0.41) TSHRTP53PLA2G4BLMNACES2
SCHEMBL7638637 0.85 LMNA (0.55) LMNAALDH1A1CES2CES1
SCHEMBL11345805 0.84 TSHR (0.50) TSHRTP53PLA2G4BRARBLMNA
SCHEMBL83075 0.84 TSHR (0.49) TSHRTP53PLA2G4BRARBLMNA

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-0521112-A1 POLYMERIC MIXTURES AND PROCESS THEREFOR. MINNESOTA MINING & MFG (US) 1993-01-07 EP disclosed
WO-1992003483-A1 POLYMERIC MIXTURES AND PROCESS THEREFOR MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1992-03-05 WO disclosed