SCHEMBL13568645

SCHEMBL13568645

CCc1cccc(-c2nc3ccc(C(=O)O)cc3o2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.58
ALB P02768 1/20 0.58
MAOA P21397 1/20 0.58
CNR1 P21554 1/20 0.58
DRD1 P21728 1/20 0.58
OPRD1 P41143 1/20 0.58
PDE4D Q08499 1/20 0.58
PDE3A Q14432 1/20 0.58
BCL2 P10415 1/20 0.56
VSIR Q9H7M9 3/20 0.52
MAPT P10636 6/20 0.50
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
KDM4E B2RXH2 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
HPSE Q9Y251 2/20 0.48

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
SCHEMBL1675377 0.86 TTR (0.68) TTRALBMAOACNR1DRD1
SCHEMBL25732562 0.84 TTR (0.60) TTRALBMAOACNR1DRD1
SCHEMBL31261528 0.84 TTR (0.62) TTRALBMAOACNR1DRD1
SCHEMBL29784233 0.83 TTR (0.72) TTRALBMAOACNR1DRD1
SCHEMBL121966 0.83 TTR (0.72) TTRALBMAOACNR1DRD1
SCHEMBL20897632 0.81 TTR (0.78) TTRALBMAOACNR1DRD1
SCHEMBL3956805 0.81 NPC1 (0.64) TTRALBMAOACNR1DRD1
SCHEMBL22442342 0.81 TTR (0.62) TTRALBMAOACNR1DRD1
SCHEMBL1675462 0.81 NPC1 (0.63) TTRALBMAOACNR1DRD1
SCHEMBL1675290 0.80 TTR (0.68) TTRALBMAOACNR1DRD1

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-2009151546-A2 METHODS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS, INC. (US) 2009-12-17 WO disclosed