SCHEMBL6506348

SCHEMBL6506348

CC(=O)OCC(CCc1ccc(Br)cc1)COC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
HSP90AA1 P07900 1/20 0.40
POLB P06746 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
MAOB P27338 1/20 0.39
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
MMP12 P39900 1/20 0.38
MEN1 O00255 1/20 0.38
TAAR1 Q96RJ0 3/20 0.37
EPHX1 P07099 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
HTR2A P28223 1/20 0.36
FPR2 P25090 1/20 0.36

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
SCHEMBL8874714 0.92 KMT2A (0.38) KMT2AHSP90AA1POLBCTDSP1MAOB
SCHEMBL8874702 0.92 KMT2A (0.38) KMT2AHSP90AA1POLBCTDSP1MAOB
SCHEMBL8874976 0.89 TDP1 (0.36) KMT2AHSP90AA1POLBCTDSP1MAOB
SCHEMBL8874984 0.89 TDP1 (0.36) KMT2AHSP90AA1POLBCTDSP1MAOB
SCHEMBL8874990 0.89 TDP1 (0.36) KMT2AHSP90AA1POLBCTDSP1MAOB
SCHEMBL8875013 0.86 KMT2A (0.33) KMT2AHSP90AA1POLBCTDSP1MAOB
SCHEMBL8875020 0.86 KMT2A (0.33) KMT2AHSP90AA1POLBCTDSP1MAOB
SCHEMBL8875016 0.86 KMT2A (0.33) KMT2AHSP90AA1POLBCTDSP1MAOB
SCHEMBL6505023 0.83 ALDH1A1 (0.55) KMT2AMMP12MEN1ALDH1A1HPGD
SCHEMBL4668894 0.78 ALDH1A1 (0.45) KMT2APOLBCTDSP1MAOBFFAR1

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
WO-2005014525-A2 BI-ARYL COMPOUND HAVING IMMUNOSUPPRESSIVE ACTIVITY MITSUBISHI PHARMA CORPORATION (JP) 2005-02-17 WO disclosed