SCHEMBL14745509

SCHEMBL14745509

CCc1cc(C(=O)Oc2c(CC)c(-c3cn(C)c4ccccc34)[nH]c(=O)c2C(=O)O)c(=O)[nH]c1-c1ccc2nc(-c3ccccc3)oc2c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 14/20 0.36
MGLL Q99685 2/20 0.35
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL14745508 0.89 GPR119 (0.37) GPR119MGLLMGAMGAASI
SCHEMBL14740956 0.77 GPR119 (0.53) GPR119
SCHEMBL14757758 0.76 GPR119 (0.48) GPR119KDM4ENPC1ALDH1A1HPGD
SCHEMBL17597372 0.74 GSK3B (0.40)
SCHEMBL14744616 0.72 GSK3B (0.49) KDM4E
SCHEMBL14745239 0.72 PDE3B (0.43)
SCHEMBL14740812 0.72 GPR119 (0.49) GPR119
SCHEMBL17597373 0.71 GSK3B (0.39) GAAKDM4EMAPT
SCHEMBL14757761 0.70 NR4A2 (0.53) GAAKDM4EALDH1A1MAPT
SCHEMBL17597213 0.70 GRK5 (0.37) KDM4E

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-2750504-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC Therapeutics, Inc. (US) 2014-07-09 EP claimed
WO-2013033258-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2013-03-07 WO claimed