SCHEMBL2653397

SCHEMBL2653397

CC(=O)c1ccc(-c2ccc(SCCCCCCCc3ccc(C(=O)NCCC(=O)O)cc3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.49
HRH3 Q9Y5N1 1/20 0.47
KMT2A Q03164 3/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
PLA2G4B P0C869 2/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 1/20 0.42
S1PR1 P21453 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
GCG P01275 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42

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
SCHEMBL2656017 0.92 S1PR1 (0.53) HRH3KMT2AALDH1A1S1PR1MEN1
SCHEMBL2656425 0.91 HRH3 (0.44) HSD17B10HRH3KMT2ANPC1RAB9A
SCHEMBL2654669 0.88 CA1 (0.46) HRH3KMT2ANPC1RAB9APLA2G4B
SCHEMBL2654574 0.88 GCG (0.57) HRH3KMT2ANPC1RAB9APLA2G4B
SCHEMBL2655431 0.88 EPHX2 (0.47) HRH3PLA2G4BS1PR1
SCHEMBL2654996 0.86 FFAR1 (0.48) HRH3KMT2ANPC1RAB9APLA2G4B
SCHEMBL2654485 0.84 NPC1 (0.47) HRH3KMT2ANPC1RAB9APLA2G4B
SCHEMBL2655347 0.83 HPGD (0.43) HRH3KMT2ANPC1RAB9APLA2G4B
SCHEMBL2655574 0.83 HRH3 (0.48) HRH3PLA2G4BS1PR1
SCHEMBL2653359 0.83 S1PR1 (0.55) HSD17B10HRH3KMT2ANPC1RAB9A

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-1758853-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-03-07 EP disclosed
WO-2005123668-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-29 WO disclosed