SCHEMBL2665080

SCHEMBL2665080

O=C(/C=C(\C(=O)c1ccc(C(=O)NC[C@@H](O)C(=O)O)cc1)c1ccc2c(c1)CCC2)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 8/20 0.44
PRMT5 O14744 1/20 0.41
MAPK14 Q16539 1/20 0.40
GIPR P48546 5/20 0.40
HDAC6 Q9UBN7 3/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
NFKB1 P19838 1/20 0.38
HTT P42858 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
GLP1R P43220 2/20 0.36
TAOK3 Q9H2K8 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HDAC1 Q13547 1/20 0.36

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
SCHEMBL2665084 0.88 GCGR (0.42) GCGRMAPK14GIPRRAB9ASMN1; SMN2
SCHEMBL2665091 0.86 GCGR (0.42) GCGRMAPK14GIPRSMN1; SMN2TP53
SCHEMBL9071436 0.85 GCGR (0.43) GCGRPRMT5MAPK14GIPROPRM1
SCHEMBL2665079 0.85 GCGR (0.43) GCGRMAPK14GIPROPRM1OPRD1
SCHEMBL2665223 0.85 GCGR (0.43) GCGRMAPK14GIPRHDAC6NPC1
SCHEMBL9071438 0.83 GCGR (0.45) GCGRMAPK14GIPROPRM1OPRD1
SCHEMBL9071435 0.83 GCGR (0.53) GCGRMAPK14GIPROPRM1OPRD1
SCHEMBL2665224 0.83 GCGR (0.43) GCGRMAPK14GIPRHDAC6NPC1
SCHEMBL2665086 0.83 GCGR (0.48) GCGRMAPK14GIPROPRM1OPRD1
SCHEMBL9071501 0.82 GCGR (0.57) GCGRPRMT5GIPRGLP1R

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-2003048109-A1 NOVEL GLUCAGON ANTAGONISTS NOVO NORDISK A/S (DK) 2003-06-12 WO disclosed