SCHEMBL3258181

SCHEMBL3258181

COc1cc(OCC(=O)NO)c2c3c(C(N)=O)cccc3n(Cc3ccccc3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.48
TP53 P04637 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 1/20 0.48
PLA2G2A P14555 17/20 0.46
KDM4E B2RXH2 1/20 0.45
RECQL P46063 1/20 0.45
MAPK10 P53779 1/20 0.45
PLA2G10 O15496 4/20 0.42
PLA2G5 P39877 4/20 0.42
PLA2G2E Q9NZK7 4/20 0.42
PLA2G1B P04054 3/20 0.42
PLA2G2F Q9BZM2 2/20 0.41
PLA2G2D Q9UNK4 2/20 0.41
PLA2G6 O60733 1/20 0.41
PLA2G2C Q5R387 1/20 0.41
PLA2G12B Q9BX93 1/20 0.41
PLA2G12A Q9BZM1 1/20 0.41
PLA2G3 Q9NZ20 1/20 0.41

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
SCHEMBL818181 0.91 PLA2G2A (0.52) PLA2G2APLA2G10PLA2G5PLA2G2EPLA2G1B
SCHEMBL29862616 0.91 PLA2G2A (0.52) PLA2G2APLA2G10PLA2G5PLA2G2EPLA2G1B
SCHEMBL6693386 0.90 PLA2G2A (0.51) PLA2G2APLA2G10PLA2G5PLA2G2EPLA2G1B
SCHEMBL6693400 0.90 PLA2G2A (0.51) PLA2G2APLA2G10PLA2G5PLA2G2EPLA2G1B
SCHEMBL6693389 0.88 PLA2G2A (0.54) NPC1TP53RAB9ASMN1; SMN2MAPT
SCHEMBL6695139 0.88 PLA2G2A (0.51) PLA2G2APLA2G10
SCHEMBL5208128 0.88 PLA2G2A (0.55) PLA2G2APLA2G10PLA2G5PLA2G2EPLA2G1B
SCHEMBL6692869 0.86 PLA2G2A (0.44) PLA2G2APLA2G10PLA2G5PLA2G2EPLA2G1B
SCHEMBL6610906 0.86 PLA2G2A (0.52) PLA2G2APLA2G10PLA2G5PLA2G2EPLA2G1B
SCHEMBL818332 0.85 PLA2G2A (0.41) NPC1TP53RAB9ASMN1; SMN2MAPT

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-2154958-A1 TREATMENT OF CARDIOVASCULAR DISEASE AND DYSLIPIDEMIA USING SECRETORY PHOSPHOLIPASE A2 (SPLA2) INHIBITORS AND SPLA2 INHIBITOR COMBINATION THERAPIES Anthera Pharmaceuticals, Inc. (US) 2010-02-24 EP disclosed
WO-2008137803-A1 TREATMENT OF CARDIOVASCULAR DISEASE AND DYSLIPIDEMIA USING SECRETORY PHOSPHOLIPASE A2 (SPLA2) INHIBITORS AND SPLA2 INHIBITOR COMBINATION THERAPIES ANTHERA PHARMACEUTICALS, INC. (US) 2008-11-13 WO disclosed