SCHEMBL3264595

SCHEMBL3264595

O=C(O)CCCOc1ccc2[nH]c3c(c2c1)CCCC3

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.57
KDM4E B2RXH2 5/20 0.57
MEN1 O00255 5/20 0.57
HPGD P15428 1/20 0.57
CASP6 P55212 1/20 0.57
MAPT P10636 6/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
LMNA P02545 4/20 0.51
ALDH1A1 P00352 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
TP53 P04637 3/20 0.47
CASP1 P29466 1/20 0.47
HTR1D P28221 2/20 0.47
HTR1B P28222 2/20 0.47
KDR P35968 2/20 0.46
MAPK1 P28482 1/20 0.46
EGFR P00533 1/20 0.46
IGF1R P08069 1/20 0.46
FLT4 P35916 1/20 0.46

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
SCHEMBL30007239 0.82 MAPT (0.50) KMT2AKDM4EMEN1MAPTSMN1; SMN2
SCHEMBL1388869 0.80 HTR1B (0.72) KMT2AMEN1HTR1DHTR1BKDR
SCHEMBL7984120 0.80 PARP1 (0.57) KMT2AKDM4EMEN1MAPTSMN1; SMN2
SCHEMBL6246029 0.79 MAPT (0.54) KMT2AKDM4EMEN1HPGDCASP6
SCHEMBL60525 0.78 KMT2A (0.69) KMT2AKDM4EMEN1MAPTSMN1; SMN2
SCHEMBL8316089 0.76 MAPKAPK2 (0.55) KMT2AMEN1MAPTLMNATP53
SCHEMBL7980939 0.75 MAPT (0.54) KMT2AKDM4EMEN1HPGDCASP6
SCHEMBL18938362 0.75 KMT2A (0.65) KMT2AKDM4EMEN1HPGDCASP6
SCHEMBL8316102 0.73 MAPKAPK2 (0.55) MAPTLMNATP53
SCHEMBL4286367 0.73 LMNA (0.67) KMT2AKDM4EMEN1MAPTLMNA

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