SCHEMBL10690035

SCHEMBL10690035

CN1CCCc2cc(CC=O)ccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.63
GAA P10253 3/20 0.63
MAPT P10636 3/20 0.63
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
HPGD P15428 1/20 0.63
PRKAB2 O43741 1/20 0.44
PRKAG1 P54619 1/20 0.44
PRKAA2 P54646 1/20 0.44
PRKAA1 Q13131 1/20 0.44
PRKAG3 Q9UGI9 1/20 0.44
PRKAG2 Q9UGJ0 1/20 0.44
PRKAB1 Q9Y478 1/20 0.44
HTT P42858 3/20 0.44
CASP1 P29466 2/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
CASP7 P55210 1/20 0.44
SMAD3 P84022 1/20 0.44

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
SCHEMBL11350703 0.83 ALDH1A1 (0.57) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL763105 0.82 ALDH1A1 (0.55) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL31020835 0.81 ALDH1A1 (0.59) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL12682909 0.81 ALDH1A1 (0.54) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL1076966 0.81 ALDH1A1 (0.59) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL16043542 0.81 ALDH1A1 (0.54) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL31020834 0.81 ALDH1A1 (0.59) ALDH1A1GAAMAPTMEN1KMT2A
Bromide SCHEMBL18581998 0.79 ALDH1A1 (0.53) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL17888445 0.78 ALDH1A1 (0.51) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL16565613 0.78 ALDH1A1 (0.51) ALDH1A1GAAMAPTMEN1KMT2A

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
US-4738972-A Hypoglycemic thiazolidinediones PFIZER INC. (US) 1988-04-19 US disclosed