SCHEMBL9979657

SCHEMBL9979657

Cc1ccc(N2Cc3c(CO)cccc3C2=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
PKM P14618 2/20 0.55
UGCG Q16739 5/20 0.48
GRM1 Q13255 1/20 0.43
ADORA2A P29274 1/20 0.40
CBLB Q13191 3/20 0.40
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
CASP3 P42574 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA1A P35348 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL9979556 0.86 GRM1 (0.43) NPC1RAB9APKMUGCGGRM1
SCHEMBL9979599 0.86 NPC1 (0.55) NPC1RAB9APKMUGCGGRM1
SCHEMBL9979658 0.86 UGCG (0.42) NPC1RAB9APKMUGCGGRM1
SCHEMBL9979557 0.83 UGCG (0.45) UGCGCBLB
SCHEMBL9979465 0.81 NPC1 (0.59) NPC1RAB9APKMUGCGGRM1
SCHEMBL9979552 0.80 UGCG (0.41) NPC1RAB9APKMUGCGCBLB
SCHEMBL9979662 0.78 NPC1 (0.59) NPC1RAB9APKMUGCGGRM1
SCHEMBL9979601 0.78 NPC1 (0.55) NPC1RAB9APKMUGCGGRM1
SCHEMBL9979580 0.75 PKM (0.41) NPC1RAB9APKMUGCGGRM1
SCHEMBL9979478 0.75 NPC1 (0.51) NPC1RAB9APKMUGCGGRM1

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-2012081570-A1 LACTAM COMPOUND OR A SALT THEREOF, AND PPAR ACTIVATOR あすか製薬株式会社 (JP) 2012-06-21 WO disclosed