SCHEMBL1010556

SCHEMBL1010556

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MMP9 P14780 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
FNTA P49354 2/20 0.32
FNTB P49356 2/20 0.32
ACLY P53396 1/20 0.30
FFAR1 O14842 1/20 0.30
CPT2 P23786 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL1010541 0.77 CYP4F2 (0.47) FNTAFNTBACLYFFAR1CPT2
SCHEMBL1009937 0.76 FFAR1 (0.34) ACLYFFAR1CPT2TDP1
SCHEMBL18987409 0.75 MEN1 (0.40) KDM4EUSP2ALDH1A1LMNAALOX15
SCHEMBL12660596 0.75 KDM4E (0.48) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL8565963 0.73 ALDH1A1 (0.60) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL1012264 0.72 MAPT (0.42) KDM4EUSP2ALDH1A1ACLYFFAR1
SCHEMBL2782728 0.72 USP2 (0.41) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL20254058 0.71 USP2 (0.47) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL6193682 0.71 ALDH1A1 (0.62) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL599715 0.70 MEN1 (0.37) KDM4ELMNAALOX15TSHR

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