SCHEMBL2665084

SCHEMBL2665084

CC(C)(C)c1ccc(C(=O)/C=C(\C(=O)c2ccc(C(=O)NC[C@@H](O)C(=O)O)cc2)c2ccc3c(c2)CCC3)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GCGR P47871 8/20 0.42
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
GIPR P48546 5/20 0.38
DHODH Q02127 2/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KMT2A Q03164 1/20 0.36
GLP1R P43220 2/20 0.36
TRPV1 Q8NER1 1/20 0.36
MAPK14 Q16539 1/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL2665091 0.98 GCGR (0.42) GCGROPRM1OPRD1GIPRDHODH
SCHEMBL2665080 0.88 GCGR (0.44) GCGROPRM1OPRD1GIPRALDH1A1
SCHEMBL2665079 0.86 GCGR (0.43) GCGROPRM1OPRD1GIPRALDH1A1
SCHEMBL2665086 0.85 GCGR (0.48) GCGROPRM1OPRD1GIPRGLP1R
SCHEMBL2665222 0.85 KMT2A (0.41) GCGRGIPRLMNAALDH1A1MAPT
SCHEMBL9071436 0.84 GCGR (0.43) GCGROPRM1OPRD1GIPRGLP1R
SCHEMBL9071438 0.84 GCGR (0.45) GCGROPRM1OPRD1GIPRGLP1R
SCHEMBL9071435 0.84 GCGR (0.53) GCGROPRM1OPRD1GIPRDHODH
SCHEMBL2665128 0.82 GCGR (0.56) GCGRGIPRLMNAMAPTSMN1; SMN2
SCHEMBL2665120 0.81 GCGR (0.49) GCGROPRM1OPRD1GIPRGLP1R

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