SCHEMBL676656

SCHEMBL676656

CNc1ccc(Oc2ccc(Oc3ccc(NC(=O)c4cccc(C(=O)Nc5ccc(O)c(NC(=O)c6cccc(C(C)=O)c6)c5)c4)cc3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.53
KMT2A Q03164 6/20 0.49
POLB P06746 1/20 0.49
HDAC3 O15379 2/20 0.48
BRAF P15056 2/20 0.48
HDAC4 P56524 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC10 Q969S8 2/20 0.48
HDAC11 Q96DB2 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HDAC9 Q9UKV0 2/20 0.48
HDAC5 Q9UQL6 2/20 0.48
NPC1 O15118 3/20 0.48
PGR P06401 2/20 0.48
RAB9A P51151 2/20 0.48
ALDH1A1 P00352 1/20 0.48
HSP90AA1 P07900 1/20 0.47

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
SCHEMBL1108328 1.00 AR (0.53) ARKMT2APOLBHDAC3BRAF
SCHEMBL677407 0.97 PGR (0.54) ARKMT2APOLBHDAC3BRAF
SCHEMBL677388 0.93 AR (0.47) ARKMT2APOLBHDAC3BRAF
SCHEMBL677399 0.90 KDR (0.44) ARKMT2APOLBHDAC3BRAF
SCHEMBL13329058 0.89 AR (0.53) ARKMT2APOLBHDAC3BRAF
SCHEMBL1108314 0.88 KCNMA1 (0.52) KMT2APOLBHDAC1HDAC2HDAC8
SCHEMBL13321803 0.87 AR (0.59) ARKMT2APOLBHDAC3BRAF
SCHEMBL676658 0.86 KMT2A (0.49) KMT2APOLBHDAC1NPC1RAB9A
SCHEMBL13657052 0.84 KMT2A (0.61) ARKMT2APOLBNPC1PGR
SCHEMBL1108313 0.84 HPGD (0.49) KMT2APOLBHDAC3BRAFHDAC4

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
US-7906213-B2 Epoxy resin curable composition for prepreg ADEKA CORPORATION (JP) 2011-03-15 US disclosed
US-20090030147-A1 Epoxy Resin Curable Composition For Prepreg ADEKA CORPORATION (JP) 2009-01-29 US disclosed