SCHEMBL4635770

SCHEMBL4635770

CC1CCC(C)(C(=O)O)C(C)(C(=O)O)C1(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 5/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TP53 P04637 2/20 0.35
FFAR3 O14843 1/20 0.34
HTT P42858 1/20 0.33
MAPK1 P28482 2/20 0.32
NFKB1 P19838 1/20 0.32
CYP2C19 P33261 1/20 0.32
THPO P40225 1/20 0.32
STAT6 P42226 1/20 0.32
HIF1A Q16665 1/20 0.32
NPC1 O15118 1/20 0.32
GMNN O75496 1/20 0.32
MTOR P42345 1/20 0.32
RAB9A P51151 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32

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
SCHEMBL2799717 0.85 ALDH1A1 (0.49) ALDH1A1LMNAPOLBNPSR1L3MBTL1
SCHEMBL29048871 0.75 NPSR1 (0.43) ALDH1A1LMNAPOLBNPSR1L3MBTL1
SCHEMBL28560684 0.74 P2RX7 (0.37) ALDH1A1LMNAPOLBNPSR1L3MBTL1
SCHEMBL29064032 0.73 FFAR3 (0.48) ALDH1A1LMNAPOLBNPSR1L3MBTL1
SCHEMBL887673 0.72 FFAR3 (0.39) ALDH1A1LMNAPOLBNPSR1L3MBTL1
SCHEMBL30405641 0.72 P2RX7 (0.36) ALDH1A1LMNAPOLBNPSR1L3MBTL1
SCHEMBL16386157 0.72 P2RX7 (0.36) ALDH1A1LMNAPOLBNPSR1L3MBTL1
SCHEMBL28234765 0.69 FFAR3 (0.36) ALDH1A1LMNAPOLBNPSR1TP53
SCHEMBL9672264 0.68 ALDH1A1 (0.49) ALDH1A1LMNAPOLBNPSR1L3MBTL1
SCHEMBL16383072 0.68 P2RX7 (0.36) ALDH1A1LMNAPOLBNPSR1L3MBTL1

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-1498461-B1 Solvent containing coating compositions EVONIK DEGUSSA GMBH (DE) 2008-06-25 EP claimed
EP-1498461-A1 Solvent containing coating compositions Degussa AG (DE) 2005-01-19 EP claimed