SCHEMBL5574004

SCHEMBL5574004

CC(C)Oc1ccc(-c2c(O)ccc3[nH]c(CC(=O)O)c(C(=O)O)c23)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.38
EGLN1 Q9GZT9 1/20 0.37
POLB P06746 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
MCL1 Q07820 1/20 0.36
NEK1 Q96PY6 12/20 0.35
PRKAB2 O43741 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA2 P54646 1/20 0.35
PRKAA1 Q13131 1/20 0.35
PRKAG3 Q9UGI9 1/20 0.35
PRKAG2 Q9UGJ0 1/20 0.35
PRKAB1 Q9Y478 1/20 0.35

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
SCHEMBL5507821 0.83 ACACB (0.39) KMT2ALMNAPOLBMCL1NEK1
SCHEMBL5266671 0.80 POLB (0.41) KMT2ALMNAPOLBNEK1
SCHEMBL5505357 0.78 PDE10A (0.37) LMNAMCL1
SCHEMBL5501032 0.77 THRA (0.40) KMT2ARXRARXRB
SCHEMBL5502096 0.76 BRD4 (0.39) LMNA
SCHEMBL5505257 0.76 ALDH1A1 (0.39) KMT2ALMNAPOLBNEK1
SCHEMBL5507785 0.73 ALOX5 (0.42) KMT2ALMNANEK1
SCHEMBL5518524 0.72 KMT2A (0.39) KMT2APOLBNEK1
SCHEMBL5272473 0.72 MAPT (0.46) KMT2ALMNAPOLBNEK1
SCHEMBL5267628 0.71 PPARD (0.39) KMT2APOLBRXRARXRB

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-1841736-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-10-10 EP disclosed
WO-2006077367-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMATION BIOLIPOX AB (SE) 2006-07-27 WO disclosed