SCHEMBL8686335

SCHEMBL8686335

CCC(CC)Cn1ccc2c(/C=C3\SC(=O)NC3=O)cccc21

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.53
TTR P02766 2/20 0.50
MEN1 O00255 1/20 0.50
AKR1B1 P15121 1/20 0.50
KMT2A Q03164 1/20 0.50
IGF1R P08069 3/20 0.47
GSK3A P49840 1/20 0.45
HPGD P15428 1/20 0.44
GSK3B P49841 1/20 0.44
NAT1 P18440 1/20 0.43
TDP2 O95551 1/20 0.43
CASP7 P55210 1/20 0.43
CASP9 P55211 1/20 0.43
CASP6 P55212 1/20 0.43
CASP8 Q14790 1/20 0.43

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
SCHEMBL8811044 1.00 PARP1 (0.53) PARP1TTRMEN1AKR1B1KMT2A
SCHEMBL8811049 0.87 PARP1 (0.39) PARP1TTRMEN1AKR1B1KMT2A
SCHEMBL8810698 0.83 PARP1 (0.53) PARP1TTRMEN1AKR1B1KMT2A
SCHEMBL8810694 0.83 PARP1 (0.53) PARP1TTRMEN1AKR1B1KMT2A
SCHEMBL8686566 0.83 PARP1 (0.52) PARP1TTRMEN1AKR1B1KMT2A
SCHEMBL8686570 0.83 PARP1 (0.52) PARP1TTRMEN1AKR1B1KMT2A
SCHEMBL8811137 0.82 PARP1 (0.51) PARP1TTRMEN1AKR1B1KMT2A
SCHEMBL8811144 0.82 PARP1 (0.51) PARP1TTRMEN1AKR1B1KMT2A
SCHEMBL8690614 0.82 PARP1 (0.76) PARP1TTRMEN1AKR1B1KMT2A
SCHEMBL8685868 0.82 PARP1 (0.53) PARP1TTRMEN1AKR1B1KMT2A

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
US-5811439-A ANTIDIABETIC AGENTS; SIDE EFFECT REDUCTION; ANTILEPEMIC AGENTS SENGA PHARMACEUTICAL LABORATORY INC. (JP) 1998-09-22 US disclosed
EP-0780389-A1 Thiazolidinedione derivatives, process for their preparation and pharmaceutical compositions containing them TOBISHI PHARMACEUTICAL CO., LTD. (JP) 1997-06-25 EP disclosed