SCHEMBL4969937

SCHEMBL4969937

CCC(O)CCCOC.CCOCCCC(O)CC

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.33
USP2 O75604 1/20 0.32
HTT P42858 1/20 0.32
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LPAR5 Q9H1C0 1/20 0.31

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
SCHEMBL216630 0.92 ALDH1A1 (0.40) ALDH1A1TSHRUSP2HTTSMN1; SMN2
SCHEMBL212935 0.89
SCHEMBL11671013 0.83 ALDH1A1 (0.37) ALDH1A1TSHRUSP2HTTLPAR5
SCHEMBL11521327 0.83 USP2 (0.39) TSHRUSP2HTTLPAR5
SCHEMBL3259045 0.78
SCHEMBL9117710 0.77 TSHR (0.50) TSHRUSP2HTTLPAR5
SCHEMBL21632196 0.77 USP2 (0.48) ALDH1A1TSHRUSP2HTTSMN1; SMN2
SCHEMBL22382015 0.77 USP2 (0.39) ALDH1A1TSHRUSP2HTTLPAR5
SCHEMBL25996472 0.76 USP2 (0.42) ALDH1A1TSHRUSP2HTTLPAR5
SCHEMBL10304916 0.75

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-1957189-A2 NOVEL DISPERSANT AND COMPOSITIONS THEREOF Lubrizol Limited (GB) 2008-08-20 EP disclosed
WO-2007111723-A2 NOVEL DISPERSANT AND COMPOSITIONS THEREOF LUBRIZOL LIMITED (GB) 2007-10-04 WO disclosed