SCHEMBL9765188

SCHEMBL9765188

CCOC(=O)[C@H](C)SC(=O)c1cc(N2C(=O)C3=C(CCCC3)C2=O)ccc1Br

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
DUSP3 P51452 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
CASP3 P42574 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL9765185 0.88 KDM4E (0.35) KDM4E
SCHEMBL9765218 0.88 KMT2A (0.38) CASP3MEN1ALDH1A1MAPTHPGD
SCHEMBL11012656 0.79 TSHR (0.42) KDM4EDUSP3ALDH1A1GAAMAPT
SCHEMBL9765182 0.76 GRM7 (0.41)
SCHEMBL9765196 0.76 PPOX (0.40) GAA
SCHEMBL9765200 0.73 PPOX (0.46)
SCHEMBL9736622 0.73 ALDH1A1 (0.41) KDM4EALDH1A1MAPTHPGD
SCHEMBL9309272 0.73 CA12 (0.52) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL11288490 0.72 GAA (0.37) DUSP3GAA
SCHEMBL11185559 0.71 LMNA (0.36) CASP3

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
EP-0233151-B1 ESTERS AS HERBICIDES CIBA-GEIGY AG (CH) 1991-11-13 EP claimed