SCHEMBL1172489

SCHEMBL1172489

CCC(C)(C)Nc1ccc(Oc2ccc(Oc3ccc(NC(=O)c4cccc(C(=O)Nc5cc(NC(=O)c6cccc(C(=O)C(C)(C)C)c6)ccc5O)c4)cc3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 1/20 0.45
▸ THRB P10828 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ DUSP3 P51452 1/20 0.41
▸ PTPN5 P54829 1/20 0.41
▸ PTPN11 Q06124 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ PGR P06401 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ ANO1 Q5XXA6 2/20 0.41
▸ HSP90AA1 P07900 1/20 0.41
▸ HSP90AB1 P08238 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SENP8 Q96LD8 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ SENP6 Q9GZR1 1/20 0.40

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
SCHEMBL14878034 0.82 ANO1 (0.44) MEN1KMT2ANPC1DUSP3PTPN5
SCHEMBL13283413 0.79 HDAC1 (0.42) HDAC1HDAC2MAPK14ALDH1A1MAPT
SCHEMBL1108328 0.77 AR (0.53) ARMEN1KMT2ANPC1PGR
SCHEMBL676656 0.77 AR (0.53) ARMEN1KMT2ANPC1PGR
SCHEMBL677388 0.75 AR (0.47) ARMEN1KMT2ANPC1PGR
SCHEMBL677407 0.74 PGR (0.54) ARMEN1KMT2ANPC1PGR
SCHEMBL13283427 0.74 MEN1 (0.44) MEN1KMT2ANPC1DUSP3PTPN5
SCHEMBL13283410 0.74 MEN1 (0.44) MEN1KMT2ANPC1DUSP3PTPN5
SCHEMBL13924222 0.73 AR (0.41) ARTHRBMEN1KMT2ANPC1
SCHEMBL22920719 0.73 PGR (0.48) NPC1DUSP3PTPN5PTPN11TDP1

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-8153260-B2 Composite material ADEKA CORPORATION (JP) 2012-04-10 — — US disclosed
US-20100112323-A1 COMPOSITE MATERIAL ADEKA CORPORATION (JP) 2010-05-06 — — US disclosed
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