SCHEMBL27420730

SCHEMBL27420730

CC(=O)CC(=O)OC(=Cc1ccccc1)C(C)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.50
AKR1C3 P42330 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MTNR1A P48039 2/20 0.42
MTNR1B P49286 2/20 0.42
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
MAPT P10636 2/20 0.39
HTT P42858 1/20 0.38
FBP1 P09467 1/20 0.38
NR1I2 O75469 1/20 0.37
DHODH Q02127 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GLA P06280 1/20 0.37

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
SCHEMBL5047540 0.79 RECQL (0.55) RECQLAKR1C3MEN1KMT2AMTNR1A
SCHEMBL7298993 0.79 RECQL (0.55) RECQLAKR1C3MEN1KMT2AMTNR1A
SCHEMBL31305249 0.77 GLA (0.49) RECQLKMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL27991420 0.75 MEN1 (0.72) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL5855587 0.74 MEN1 (0.46) RECQLAKR1C3MEN1KMT2AMTNR1A
SCHEMBL5855592 0.74 MEN1 (0.46) RECQLAKR1C3MEN1KMT2AMTNR1A
SCHEMBL28160312 0.74 GLA (0.53) RECQLMEN1KMT2AALDH1A1RAB9A
SCHEMBL30937972 0.73 AKR1C3 (0.55) RECQLAKR1C3MEN1KMT2AMTNR1A
SCHEMBL28568575 0.73 RECQL (0.56) RECQLAKR1C3MEN1KMT2AMTNR1A
SCHEMBL7298719 0.73 AKR1C3 (0.50) RECQLAKR1C3MEN1KMT2AALDH1A1

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
CN-1098411-A The oxazolidinedione derivative, their production and application TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-02-08 CN disclosed