SCHEMBL9979580

SCHEMBL9979580

Cc1ccc(N2Cc3c(CSc4ccc(O)c5c4CCCC5)cccc3C2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
GRM1 Q13255 3/20 0.39
UGCG Q16739 4/20 0.38
CASP3 P42574 2/20 0.32
HTR2C P28335 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 4/20 0.31
MAPT P10636 2/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ADORA2A P29274 1/20 0.31
LMNA P02545 3/20 0.31
POLB P06746 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL9979629 0.85 PPARD (0.41) GRM1UGCG
SCHEMBL9979708 0.82 PPARD (0.48) UGCGALDH1A1MAPTMEN1KMT2A
SCHEMBL9979515 0.81 PPARD (0.39) PKMRAB9AUGCGCASP3KDM4E
SCHEMBL9979712 0.80 ALDH1A1 (0.40) PKMRAB9AUGCGCASP3KDM4E
SCHEMBL9979465 0.76 NPC1 (0.59) PKMNPC1RAB9AGRM1UGCG
SCHEMBL9979657 0.75 NPC1 (0.55) PKMNPC1RAB9AGRM1UGCG
SCHEMBL9979608 0.73 PPARD (0.50) UGCG
SCHEMBL9979599 0.73 NPC1 (0.55) PKMNPC1RAB9AGRM1UGCG
SCHEMBL9979506 0.72 PPARD (0.62)
SCHEMBL9979513 0.72 PPARD (0.48) PKMKDM4EALDH1A1MAPTSMN1; 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-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