SCHEMBL9555136

SCHEMBL9555136

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.38
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
FOLH1 Q04609 7/20 0.33
BLM P54132 1/20 0.32
CYP1A2 P05177 1/20 0.32
LMNA P02545 2/20 0.32
SLC1A1 P43005 2/20 0.31
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
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
SCHEMBL3133661 0.86 LMNA (0.42) BLMLMNA
SCHEMBL20061760 0.83 ALDH1A1 (0.41) MMP1MMP2MMP3MMP9MMP13
SCHEMBL20511568 0.83 EGLN1 (0.39) MMP1MMP2MMP3MMP9MMP13
SCHEMBL20061759 0.83 ALDH1A1 (0.41) MMP1MMP2MMP3MMP9MMP13
SCHEMBL15960972 0.80 MGAM (0.36) MMP1MMP2MMP3MMP9MMP13
SCHEMBL12014965 0.80 LMNA (0.50) CYP1A2LMNA
SCHEMBL7110445 0.80 LMNA (0.40) MMP1MMP2MMP3MMP9MMP13
SCHEMBL2608669 0.80 LMNA (0.40) MMP1MMP2MMP3MMP9MMP13
SCHEMBL675633 0.79 LMNA (0.58) CYP1A2LMNA
SCHEMBL29126779 0.79 SLC1A1 (0.39) BLMCYP1A2SLC1A1SLC1A3SLC1A2

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
EP-0562263-A1 Hair washing composition GOLDWELL GmbH (DE) 1993-09-29 EP disclosed