SCHEMBL9979620

SCHEMBL9979620

Cc1ccc(N2Cc3c(CSc4ccc5c(c4)CCC(CC(=O)O)O5)cccc3C2=O)cc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.35
ITGA2B P08514 2/20 0.35
NPC1 O15118 1/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 1/20 0.35
FFAR4 Q5NUL3 3/20 0.34
GRM1 Q13255 2/20 0.34
HTT P42858 1/20 0.34
UGCG Q16739 2/20 0.32
CREBBP Q92793 2/20 0.32
TSHR P16473 1/20 0.32
PTGDR Q13258 1/20 0.31
HTR2C P28335 1/20 0.30
MAP3K5 Q99683 1/20 0.30
FFAR1 O14842 1/20 0.30

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
SCHEMBL9979585 0.91 CHRM2 (0.34) NPC1PKMRAB9AFFAR4GRM1
SCHEMBL9979619 0.90 ITGB3 (0.35) ITGB3ITGA2BFFAR4UGCGFFAR1
SCHEMBL9979517 0.88 FFAR4 (0.43) ITGB3ITGA2BFFAR4FFAR1
SCHEMBL9979613 0.83 CYP11B1 (0.33) FFAR4GRM1UGCGFFAR1
SCHEMBL9979616 0.82 FFAR4 (0.38) FFAR4FFAR1
SCHEMBL9979702 0.72 ALDH1A1 (0.35) UGCG
SCHEMBL9979575 0.72 PPARA (0.42) NPC1PKMRAB9AFFAR1
SCHEMBL9979708 0.72 PPARD (0.48) UGCG
SCHEMBL9979580 0.71 PKM (0.41) NPC1PKMRAB9AGRM1UGCG
SCHEMBL18160779 0.70 ITGB3 (0.54) ITGB3ITGA2BFFAR4FFAR1

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