SCHEMBL10488668

SCHEMBL10488668

CCCCC(C(=O)O)C1(CC(=O)O)CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.38
SLC1A2 P43004 2/20 0.37
SLC1A1 P43005 2/20 0.37
SLC1A3 P43003 1/20 0.37
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
TSHR P16473 1/20 0.36
BLM P54132 1/20 0.36
CACNA2D1 P54289 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MME P08473 1/20 0.34
GPR84 Q9NQS5 3/20 0.33
CA1 P00915 1/20 0.33
FFAR1 O14842 1/20 0.33
GRIK1 P39086 1/20 0.33
GRIK2 Q13002 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
SCHEMBL15547298 0.83 HDAC1 (0.41) CA2MAPK1CYP2C19SLC1A2SLC1A1
SCHEMBL29089249 0.81 CA2 (0.42) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL7764856 0.81 SLC1A2 (0.40) CA2MAPK1CYP2C19SLC1A2SLC1A1
SCHEMBL16398520 0.80 AKR1B1 (0.39) ALDH1A1TSHRGPR84FFAR1MAPT
SCHEMBL10951781 0.80 CA2 (0.42) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL2553554 0.79 GPR84 (0.43) CA2SLC1A2SLC1A1GPR84FFAR1
SCHEMBL105615 0.78 GPR84 (0.43) ALDH1A1TSHRGPR84FFAR1MAPT
SCHEMBL9694420 0.73 GPR84 (0.47) SLC1A2SLC1A1BLMGPR84FFAR1
SCHEMBL7770587 0.73 ALDH1A1 (0.42) CYP2C19SLC1A2SLC1A1SLC1A3USP2
SCHEMBL3448268 0.72 CETP (0.36) CA2MAPK1SLC1A2SLC1A1SLC1A3

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
US-4810778-A OLIGOPEPTIDES SMITHKLINE BECKMAN CORPORATION (US) 1989-03-07 US disclosed