SCHEMBL5447277

SCHEMBL5447277

C=CCCCC=CCOC(COC(=O)CCC(=O)OCC(OCC=CCCCC=C)OCC=CCCCC=C)OCC=CCCCC=C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
USP2 O75604 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DGKA P23743 1/20 0.37
ALDH1A1 P00352 1/20 0.36
FAAH O00519 2/20 0.35
PRKCE Q02156 1/20 0.35
PRKCQ Q04759 1/20 0.35
PRKCD Q05655 1/20 0.35
PRKCA P17252 1/20 0.35
TSHR P16473 1/20 0.34
LPAR1 Q92633 6/20 0.33
ENPP2 Q13822 3/20 0.33
LPAR4 Q99677 2/20 0.33
LPAR5 Q9H1C0 2/20 0.33
LPAR2 Q9HBW0 2/20 0.33
LPAR3 Q9UBY5 2/20 0.33

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
SCHEMBL8598158 0.82 TSHR (0.44) LMNAUSP2CYP3A4MAPTRECQL
SCHEMBL8810390 0.82 TSHR (0.44) LMNAUSP2CYP3A4MAPTRECQL
SCHEMBL5447281 0.81 MAPT (0.37) LMNAUSP2CYP3A4MAPTRECQL
SCHEMBL3216997 0.77 TSHR (0.51) LMNACYP3A4MAPTDGKAALDH1A1
SCHEMBL5436266 0.75 EPHX2 (0.38) LMNAUSP2CYP3A4MAPTRECQL
SCHEMBL15624121 0.72 TSHR (0.54) LMNAUSP2CYP3A4MAPTRECQL
SCHEMBL874776 0.72 USP2 (0.30) LMNAUSP2CYP3A4MAPTRECQL
SCHEMBL3217004 0.72 TSHR (0.46) LMNACYP3A4MAPTALDH1A1TSHR
SCHEMBL4653097 0.72 LMNA (0.35) LMNAUSP2CYP3A4MAPTRECQL
SCHEMBL5451680 0.71 MAPT (0.39) LMNAUSP2CYP3A4MAPTRECQL

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-20070060713-A1 Reactive diluents in coating formulation BP CHEMICALS LIMITED (GB) 2007-03-15 US disclosed