SCHEMBL10585369

SCHEMBL10585369

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.52
▸ DBH P09172 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ RECQL P46063 1/20 0.52
▸ GSK3B P49841 3/20 0.41
▸ ELANE P08246 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ FFAR1 O14842 1/20 0.35
▸ HDAC1 Q13547 2/20 0.35
▸ HDAC8 Q9BY41 2/20 0.35
▸ HDAC6 Q9UBN7 2/20 0.35
▸ TAS1R3 Q7RTX0 1/20 0.35
▸ TAS1R1 Q7RTX1 1/20 0.35
▸ CES2 O00748 1/20 0.34
▸ CES1 P23141 1/20 0.34
▸ PGR P06401 1/20 0.34
▸ ADRA2A P08913 1/20 0.34
▸ ADRA2B P18089 1/20 0.34
▸ HTR2A P28223 1/20 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
SCHEMBL10121174 0.87 KDM4E (0.62) KDM4EDBHGAARECQLGSK3B
SCHEMBL727222 0.81 CES2 (0.54) KDM4EDBHGAARECQLGSK3B
SCHEMBL508009 0.80 CES2 (0.52) KDM4EDBHGAARECQLGSK3B
SCHEMBL10941943 0.80 KDM4E (0.56) KDM4EDBHGAARECQLELANE
SCHEMBL12418688 0.80 KDM4E (0.56) KDM4EDBHGAARECQLALDH1A1
SCHEMBL480603 0.79 KMT2A (0.58) KDM4EDBHGAARECQLELANE
SCHEMBL3685675 0.79 KDM4E (0.50) KDM4EDBHGAARECQLALDH1A1
SCHEMBL688186 0.79 TP53 (0.47) GAAALDH1A1HDAC6CES2CES1
SCHEMBL1878288 0.78 TSHR (0.60) KDM4EDBHGAARECQLALDH1A1
SCHEMBL585256 0.78 ALDH1A1 (0.56) KDM4EDBHGAARECQLGSK3B

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
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