SCHEMBL7427784

SCHEMBL7427784

CCCC(C(=O)OC)(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.52
CA12 O43570 2/20 0.35
CA14 Q9ULX7 2/20 0.35
CA1 P00915 2/20 0.35
CA7 P43166 2/20 0.35
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CA2 P00918 2/20 0.32
ELANE P08246 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CTSK P43235 2/20 0.30
KMT2A Q03164 1/20 0.30
CTSS P25774 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
SCHEMBL11592929 0.87 DGAT1 (0.36) DGAT1CA1ALDH1A1LMNAHSD17B10
SCHEMBL7540300 0.82 DGAT1 (0.39) DGAT1CA12CA14CA1CA7
SCHEMBL7307178 0.82 DGAT1 (0.39) DGAT1CA12CA14CA1CA7
SCHEMBL28842397 0.77 DGAT1 (0.48) DGAT1CA12CA14CA1CA7
SCHEMBL24487968 0.74 DGAT1 (0.43) DGAT1CA12CA14CA1CA7
SCHEMBL28003851 0.74 DGAT1 (0.43) DGAT1CA12CA14CA1CA7
SCHEMBL18467265 0.74 ELANE (0.46) DGAT1CA12CA14CA1CA7
SCHEMBL9243513 0.73 DGAT1 (0.41) DGAT1CA1ALDH1A1LMNAHSD17B10
SCHEMBL16661305 0.72 DGAT1 (0.58) DGAT1CA12CA14CA1CA7
SCHEMBL2304603 0.72 LMNA (0.41) DGAT1CA1ALDH1A1LMNAHSD17B10

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-1180099-A1 NEW COMPOUNDS AstraZeneca AB (SE) 2002-02-20 EP disclosed
WO-2000066550-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2000-11-09 WO disclosed