SCHEMBL1407244

SCHEMBL1407244

CCOC(=O)c1c(C=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2n1-c1ccc(OC(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 1/20 0.38
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 6/20 0.34
HIF1A Q16665 2/20 0.34
TP53 P04637 2/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
THRB P10828 1/20 0.33
ALDH1A1 P00352 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
KDM4E B2RXH2 2/20 0.33
PPARG P37231 1/20 0.33
NCOA2 Q15596 1/20 0.33
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.33
MAT2A P31153 1/20 0.33
PKM P14618 1/20 0.32
HPGD P15428 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
SCHEMBL332939 0.93 UCHL1 (0.38) UCHL1MEN1KMT2AMAPTHIF1A
SCHEMBL3005796 0.84 UCHL1 (0.40) UCHL1MAPTHIF1ATP53SMN1; SMN2
SCHEMBL3013557 0.83 UCHL1 (0.39) UCHL1MEN1KMT2AMAPTHIF1A
SCHEMBL3579153 0.83 UCHL1 (0.41) UCHL1MEN1KMT2AMAPTHIF1A
SCHEMBL3007510 0.82 KMT2A (0.44) MEN1KMT2AMAPTHIF1ATP53
SCHEMBL3002124 0.81 UCHL1 (0.37) UCHL1MAPTHIF1ATP53SMN1; SMN2
SCHEMBL333693 0.77 MAPT (0.43) MEN1KMT2AMAPTTP53SMN1; SMN2
SCHEMBL334136 0.72 PTGES (0.53) MAPTTP53SMN1; SMN2THRBPPARG
SCHEMBL30633802 0.70 UCHL1 (0.39) UCHL1MAPTHIF1AALDH1A1PKM
SCHEMBL3570481 0.68 UCHL1 (0.39) UCHL1MEN1KMT2AMAPTHIF1A

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-1841735-B1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2011-03-09 EP disclosed