SCHEMBL8996674

SCHEMBL8996674

CCCCCCCCNCC(O)CCCCCCCCCn1c(=O)c(C)cn(C)c1=O.CCCNCC(O)CCCCn1c(=O)c(C)cn(C)c1=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.36
CNR2 P34972 5/20 0.36
PTGER4 P35408 3/20 0.36
PTGER1 P34995 1/20 0.36
PTGER3 P43115 1/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TOP2A P11388 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ADORA2B P29275 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
ABCB1 P08183 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
SCHEMBL7993479 0.98 ADRA2A (0.38) ADRA2ACNR2PTGER4PTGER1PTGER3
SCHEMBL7610062 0.98 ADRA2A (0.38) ADRA2ACNR2PTGER4PTGER1PTGER3
SCHEMBL8374637 0.98 ADRA2A (0.38) ADRA2ACNR2PTGER4PTGER1PTGER3
SCHEMBL8009084 0.98 ADRA2A (0.38) ADRA2ACNR2PTGER4PTGER1PTGER3
SCHEMBL7611532 0.96 MEN1 (0.37) ADRA2ACNR2PTGER4PTGER1PTGER3
SCHEMBL27338495 0.79 ADORA2B (0.47) ADRA2ACNR2SMN1; SMN2ALDH1A1HPGD
SCHEMBL8374647 0.79 ADRA2A (0.37) ADRA2ACNR2PTGER4LMNASMN1; SMN2
SCHEMBL8374665 0.79 PTGER4 (0.44) ADRA2ACNR2PTGER4PTGER1PTGER3
SCHEMBL8375311 0.79 PTGER4 (0.44) ADRA2ACNR2PTGER4PTGER1PTGER3
SCHEMBL7994402 0.79 ACLY (0.33) CNR2PTGER4PTGER1PTGER3LMNA

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-0728003-A1 METHOD FOR PREVENTING TISSUE INJURY FROM HYPOXIA CELL THERAPEUTICS, INC. (US) 1996-08-28 EP disclosed
WO-1995013075-A1 METHOD FOR PREVENTING TISSUE INJURY FROM HYPOXIA CELL THERAPEUTICS, INC. (US) 1995-05-18 WO disclosed