SCHEMBL7092853

SCHEMBL7092853

CCCCC(I)OC(=O)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 2/20 0.42
CA2 P00918 7/20 0.40
CA1 P00915 4/20 0.40
MAPK1 P28482 2/20 0.39
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
MAPT P10636 1/20 0.34
PRSS1 P07477 2/20 0.34
CTSG P08311 2/20 0.34
CTRB1 P17538 2/20 0.34
CMA1 P23946 2/20 0.34
CTSK P43235 2/20 0.34
ALDH1A1 P00352 1/20 0.33
PRKCD Q05655 1/20 0.33

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
SCHEMBL10379868 0.80 PRKCA (0.44) PRKCA
SCHEMBL12592739 0.80 PRKCA (0.48) PRKCACA2CA1MAPK1SLC1A3
SCHEMBL31112628 0.79 PRKCA (0.47) PRKCA
SCHEMBL11335037 0.78 CA2 (0.41) PRKCACA2CA1MAPK1SLC1A3
SCHEMBL21811641 0.78 ALDH1A1 (0.41) PRKCACA2CA1MAPK1MAPT
SCHEMBL29707924 0.73 PRKCA (0.46) PRKCACA2MAPK1MAPTPRSS1
SCHEMBL29707925 0.73 PRKCA (0.46) PRKCACA2MAPK1MAPTPRSS1
SCHEMBL29707920 0.73 PRKCA (0.46) PRKCACA2MAPK1MAPTPRSS1
SCHEMBL29707923 0.73 PRKCA (0.46) PRKCACA2MAPK1MAPTPRSS1
SCHEMBL594327 0.73 PRKCA (0.46) PRKCACA2MAPK1MAPTPRSS1

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-2003084532-A1 LIPOIC ACID ANALOGS USEFUL AS PROVITAMINS AND ANTIOXIDANTS AVERY MITCHELL A (US) 2003-10-16 WO disclosed