SCHEMBL7763980

SCHEMBL7763980

[CH2]C(CCCCCCCC)c1nccs1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
FBP1 P09467 1/20 0.32
HSPA5 P11021 1/20 0.31
CTSK P43235 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
CA2 P00918 2/20 0.30
CTSA P10619 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
SCHEMBL18948435 0.83 PLA2G4A (0.36) PLA2G4AL3MBTL1FBP1HSPA5CTSK
SCHEMBL19334597 0.83 PLA2G4A (0.36) PLA2G4AL3MBTL1FBP1HSPA5CTSK
SCHEMBL21217035 0.83 PLA2G4A (0.36) PLA2G4AL3MBTL1FBP1HSPA5CTSK
SCHEMBL18430567 0.83 PLA2G4A (0.36) PLA2G4AL3MBTL1FBP1HSPA5CTSK
SCHEMBL29325457 0.83 PLA2G4A (0.36) PLA2G4AL3MBTL1FBP1HSPA5CTSK
SCHEMBL1670553 0.81 CA2 (0.39) PLA2G4AL3MBTL1CA2
SCHEMBL20098093 0.81 PLA2G4A (0.35) PLA2G4AL3MBTL1FBP1HSPA5CTSK
SCHEMBL29865290 0.80 NR1I2 (0.38) PLA2G4AL3MBTL1FBP1
SCHEMBL7267691 0.79 L3MBTL1 (0.38) PLA2G4AL3MBTL1HSPA5CTSKCYP1A2
SCHEMBL9095414 0.79 L3MBTL1 (0.38) PLA2G4AL3MBTL1HSPA5CTSKCYP1A2

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-2001091796-A2 METHODS, COMPOUNDS AND COMPOSITIONS FOR TREATING GOUT GUILFORD PHARMACEUTICALS INC. (US) 2001-12-06 WO disclosed