SCHEMBL17023971

SCHEMBL17023971

CCCCC(C)(OC(=O)CC)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.38
PAM P19021 2/20 0.35
FDPS P14324 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CTSK P43235 1/20 0.33
HTT P42858 1/20 0.33
GAA P10253 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
ELANE P08246 1/20 0.32
HCAR2 Q8TDS4 1/20 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
SCHEMBL17023972 1.00 NAAA (0.38) NAAAPAMFDPSALDH1A1CTSK
SCHEMBL17023960 1.00 NAAA (0.38) NAAAPAMFDPSALDH1A1CTSK
SCHEMBL28022853 0.93 NAAA (0.44) NAAAPAMFDPSALDH1A1TP53
SCHEMBL28023338 0.93 NAAA (0.44) NAAAPAMFDPSALDH1A1TP53
SCHEMBL17023958 0.87 ALDH1A1 (0.40) PAMFDPSALDH1A1TSHR
SCHEMBL15618808 0.87 ALDH1A1 (0.40) PAMFDPSALDH1A1TSHR
SCHEMBL17023973 0.87 ALDH1A1 (0.40) PAMFDPSALDH1A1TSHR
SCHEMBL8997387 0.84 PAM (0.51) PAMALDH1A1TSHR
SCHEMBL17023959 0.82 GAA (0.52) PAMFDPSALDH1A1GAATP53
SCHEMBL15618963 0.82 GAA (0.52) PAMFDPSALDH1A1GAATP53

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-20150240272-A1 LACTATE PRODUCTION PROCESS PLAXICA LIMITED (GB) 2015-08-27 US disclosed