SCHEMBL10587459

SCHEMBL10587459

CC(C)(C)C(=O)c1ccc(C(=O)Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.41
AR P10275 1/20 0.41
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.38
SRD5A2 P31213 1/20 0.38
MLYCD O95822 3/20 0.37
CA2 P00918 1/20 0.36
ELANE P08246 1/20 0.36
RAB9A P51151 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
HIF1A Q16665 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
POLB P06746 1/20 0.34
RARB P10826 1/20 0.34
RARG P13631 1/20 0.34
LMNA P02545 2/20 0.34

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
SCHEMBL10031827 0.87 PGR (0.47) PGRARHDAC1SRD5A2MLYCD
SCHEMBL5927848 0.81 HDAC1 (0.59) HDAC1HDAC6SRD5A2CA2RAB9A
SCHEMBL3050432 0.81 CES2 (0.54) PGRARHDAC1HDAC6CA2
SCHEMBL2574286 0.80 CES2 (0.52) PGRARHDAC6MLYCDELANE
SCHEMBL15745797 0.80 PGR (0.51) PGRARCA2ELANERAB9A
SCHEMBL10483771 0.80 ELANE (0.54) PGRARSRD5A2ELANERAB9A
SCHEMBL5058744 0.80 PGR (0.43) PGRARHDAC1SRD5A2MLYCD
SCHEMBL9178565 0.79 HDAC1 (0.47) PGRARHDAC1HDAC6MLYCD
SCHEMBL547696 0.79 HDAC1 (0.42) PGRARHDAC1HDAC6SRD5A2
SCHEMBL688186 0.79 TP53 (0.47) HDAC6SRD5A2CA2ALDH1A1HTT

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-0319316-A2 Griseolic acid monoesters, their preparation and use SANKYO COMPANY LIMITED (JP) 1989-06-07 EP disclosed