SCHEMBL2665091

SCHEMBL2665091

CC(C)(C)c1ccc(C(=O)/C=C(\C(=O)c2ccc(C(=O)NC[C@@H](O)C(=O)O)cc2)c2ccc3c(c2)CCCC3)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GCGR P47871 9/20 0.42
GIPR P48546 6/20 0.40
DHODH Q02127 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
GLP1R P43220 2/20 0.37
NR1H4 Q96RI1 3/20 0.37
EPHX2 P34913 2/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
MAPK14 Q16539 1/20 0.36
TP53 P04637 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 0.98 GCGR (0.42) GCGRGIPRDHODHALDH1A1LMNA
SCHEMBL2665086 0.87 GCGR (0.48) GCGRGIPRGLP1ROPRM1OPRD1
SCHEMBL2665080 0.86 GCGR (0.44) GCGRGIPRALDH1A1HTTSMN1; SMN2
SCHEMBL9071436 0.86 GCGR (0.43) GCGRGIPRGLP1ROPRM1OPRD1
SCHEMBL9071435 0.86 GCGR (0.53) GCGRGIPRDHODHTRPV1NR1H4
SCHEMBL9071438 0.86 GCGR (0.45) GCGRGIPRGLP1RNR1H4EPHX2
SCHEMBL2665079 0.84 GCGR (0.43) GCGRGIPRALDH1A1TRPV1GLP1R
SCHEMBL2665222 0.83 KMT2A (0.41) GCGRGIPRALDH1A1LMNAMAPT
SCHEMBL9071502 0.83 GCGR (0.51) GCGRGIPRGLP1RNR1H4EPHX2
SCHEMBL2665128 0.82 GCGR (0.56) GCGRGIPRLMNAMAPTSMN1; SMN2

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