SCHEMBL7536206

SCHEMBL7536206

CC(C)(C)OC(=O)CC(CCC(=O)O)C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.47
CPA3 P15088 1/20 0.44
SYK P43405 1/20 0.43
SLC15A1 P46059 2/20 0.43
ALDH1A1 P00352 2/20 0.42
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
LTA4H P09960 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL8219512 0.88 SYK (0.44) SYKSLC15A1ALDH1A1CA2CA9
SCHEMBL8219511 0.88 SYK (0.44) SYKSLC15A1ALDH1A1CA2CA9
SCHEMBL18634633 0.88 CA2 (0.47) SYKSLC15A1ALDH1A1CA2CA9
SCHEMBL973865 0.88 CA2 (0.47) SYKSLC15A1ALDH1A1CA2CA9
SCHEMBL18634583 0.86 AAK1 (0.47) SYKSLC15A1ALDH1A1CA2CA9
SCHEMBL8218735 0.86 SYK (0.45) SYKALDH1A1MAPK1L3MBTL1
SCHEMBL8218736 0.86 SYK (0.45) SYKALDH1A1MAPK1L3MBTL1
SCHEMBL18634625 0.86 AAK1 (0.47) SYKSLC15A1ALDH1A1CA2CA9
SCHEMBL7280308 0.85 SLC15A1 (0.49) CPA3SYKSLC15A1ALDH1A1CA2
SCHEMBL28638619 0.85 SYK (0.45) SYKSLC15A1ALDH1A1CA2CA9

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
WO-2002028438-A1 LIPOPEPTIDES AS ABSORPTION ENHANCERS FOR BIOACTIVE COMPOUNDS KING'S COLLEGE LONDON (GB) 2002-04-11 WO disclosed