SCHEMBL1010555

SCHEMBL1010555

COC(=O)C(CCCCCCCCCCCOS(C)(=O)=O)C(=O)OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
USP2 O75604 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
MMP9 P14780 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
ZDHHC7 Q9NXF8 1/20 0.39
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
CA1 P00915 12/20 0.33
CA2 P00918 12/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MAPT P10636 1/20 0.33
CA9 Q16790 11/20 0.32
CA14 Q9ULX7 4/20 0.32
CA12 O43570 3/20 0.32
CA3 P07451 3/20 0.32
CA4 P22748 3/20 0.32
CA6 P23280 3/20 0.32

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
SCHEMBL5694365 0.81 ZDHHC7 (0.52) USP2ALDH1A1LMNATSHRZDHHC7
SCHEMBL7973197 0.80 KDM4E (0.48) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL11648130 0.79 ZDHHC7 (0.48) USP2ALDH1A1LMNATSHRZDHHC7
SCHEMBL166064 0.76 ZDHHC7 (0.44) USP2ALDH1A1LMNATSHRZDHHC7
SCHEMBL168943 0.76 ZDHHC7 (0.44) USP2ALDH1A1LMNATSHRZDHHC7
SCHEMBL18746519 0.76 KDM4E (0.62) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL7971325 0.75 KDM4E (0.45) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL11650719 0.74 CA1 (0.46) USP2ALDH1A1LMNATSHRZDHHC7
SCHEMBL8914005 0.74 TSHR (0.60) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL27447673 0.74 TSHR (0.60) KDM4EUSP2ALDH1A1LMNAMMP9

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-2268319-A2 PRECURSORS OF LIPID METABOLISM FOR THE DIAGNOSIS AND TREATMENT OF CANCER Universität Ulm (DE) 2011-01-05 EP disclosed
WO-2009109798-A2 PRECURSORS OF LIPID METABOLISM FOR THE DIAGNOSIS AND TREATMENT OF CANCER UNIVERSITÄT ULM (DE) 2009-09-11 WO disclosed