SCHEMBL9979645

SCHEMBL9979645

CCOC(=O)Cc1coc2cc(CBr)ccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
GAA P10253 1/20 0.60
MAPT P10636 6/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
ALOX15 P16050 2/20 0.49
TSHR P16473 6/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
HSD17B10 Q99714 1/20 0.44
HPGD P15428 2/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
PAX8 Q06710 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
TP53 P04637 1/20 0.43
THRB P10828 1/20 0.43
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42

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
SCHEMBL9979594 0.88 POLB (0.61) POLBMEN1KMT2AGAAMAPT
SCHEMBL3133285 0.85 POLB (0.64) POLBMEN1KMT2AGAAMAPT
SCHEMBL23117269 0.84 POLB (0.56) POLBMEN1KMT2AGAAMAPT
SCHEMBL32670275 0.84 POLB (0.56) POLBMEN1KMT2AGAAMAPT
SCHEMBL27064736 0.84 POLB (0.57) POLBMEN1KMT2AGAAMAPT
SCHEMBL29322261 0.84 MAPT (0.69) POLBMEN1KMT2AGAAMAPT
SCHEMBL9979457 0.83 GAA (0.75) POLBMEN1KMT2AGAAMAPT
SCHEMBL23116701 0.82 TSHR (0.58) POLBMEN1KMT2AGAAMAPT
SCHEMBL30708171 0.82 POLB (0.56) POLBMEN1KMT2AGAAMAPT
SCHEMBL25139597 0.82 POLB (0.56) POLBMEN1KMT2AGAAMAPT

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