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Sugi Predict / Compounds / SCHEMBL1010557

SCHEMBL1010557

SCHEMBL1010557

CC(CCCCCCCCCCC(C)(C(=O)O)C(=O)O)OS(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 1/20 0.40
▸ ACACA Q13085 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.31
▸ ACLY P53396 1/20 0.31
▸ FFAR1 O14842 1/20 0.31
▸ CPT2 P23786 1/20 0.31
▸ TDP1 Q9NUW8 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
SCHEMBL14778728 0.79 ALDH1A1 (0.48) ALDH1A1
SCHEMBL14780210 0.79 ALDH1A1 (0.48) ALDH1A1
SCHEMBL14779634 0.77 ALDH1A1 (0.50) ALDH1A1
SCHEMBL1010543 0.74 ACACB (0.53) ACACBACACAALDH1A1ACLYFFAR1
SCHEMBL11023114 0.73 ALDH1A1 (0.32) ALDH1A1
SCHEMBL2756236 0.73 ALDH1A1 (0.50) ALDH1A1
SCHEMBL1009938 0.73 ACACB (0.47) ACACBACACAACLYFFAR1CPT2
SCHEMBL8843220 0.72 TP53 (0.44) ALDH1A1
SCHEMBL8843279 0.72 TP53 (0.44) ALDH1A1
SCHEMBL22263512 0.72 TP53 (0.44) ALDH1A1

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