SCHEMBL5518524

SCHEMBL5518524

COC(=O)c1ccc(-c2[nH]c3ccc(O)c(-c4ccc(OC(C)C)cc4)c3c2C(=O)OC)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MAPT P10636 2/20 0.38
NEK1 Q96PY6 3/20 0.38
PARP10 Q53GL7 1/20 0.37
ERN1 O75460 1/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
IDO1 P14902 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL5505257 0.86 ALDH1A1 (0.39) KMT2AHDAC3HDAC1HDAC2HDAC8
SCHEMBL5511370 0.81 RHEB (0.40) KMT2AMEN1HDAC3HDAC1HDAC2
SCHEMBL1854840 0.74 KMT2A (0.66) KMT2AMEN1MAPTPARP10CA1
SCHEMBL5574004 0.72 KMT2A (0.39) KMT2ANEK1POLB
SCHEMBL22507148 0.71 ACACB (0.58) KMT2AMEN1MAPTPARP10CA1
SCHEMBL5266671 0.71 POLB (0.41) KMT2AMEN1MAPTNEK1CA1
SCHEMBL5509080 0.69 PTPN5 (0.37) MAPTKDM4EMAPK1
SCHEMBL5268671 0.68 KDM4E (0.52) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL5502135 0.68 KMT2A (0.45) KMT2APARP10KDM4E
SCHEMBL24515181 0.68 CA1 (0.64) KMT2AMEN1MAPTERN1CA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1841735-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-10-10 EP disclosed
WO-2006077366-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2006-07-27 WO disclosed