SCHEMBL9957648

SCHEMBL9957648

CCCCCC1CC2CCC1(C(=O)O)CC2

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.39
EPHX2 P34913 5/20 0.33
LIPA P38571 1/20 0.33
S1PR3 Q99500 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 2/20 0.32
ARG1 P05089 3/20 0.31
ARG2 P78540 2/20 0.31

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
SCHEMBL28023532 0.73 ALOX5 (0.41) ALOX5S1PR3ALDH1A1
SCHEMBL6009787 0.73 ALOX5 (0.40) ALOX5S1PR3ALDH1A1ARG1ARG2
SCHEMBL10481719 0.71 TP53 (0.42) ALOX5LIPACYP1A2
SCHEMBL31405356 0.71 ARG1 (0.37) ALOX5ARG1ARG2
SCHEMBL10481724 0.70 TP53 (0.44) ALOX5LIPACYP1A2
SCHEMBL22390578 0.69 CYP1A2 (0.46) CYP1A2
SCHEMBL1470683 0.69 CYP1A2 (0.46) CYP1A2
SCHEMBL11284413 0.69 TP53 (0.40) ALOX5LIPACYP1A2
SCHEMBL10481710 0.69 TP53 (0.40) ALOX5LIPACYP1A2
SCHEMBL1934904 0.68 GAA (0.43) EPHX2ALDH1A1

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-2467425-A1 WATER-SOLUBLE POLYSACCHARIDE ETHERS AND THE USE THEREOF PHARMPUR GmbH (DE) 2012-06-27 EP disclosed