SCHEMBL11145632

SCHEMBL11145632

Cc1cc(C(C)(C)c2ccc(NC(=O)c3cccc(C(=O)Nc4ccc(C(C)(C)c5ccc(O)c(C)c5)cc4)c3)cc2)ccc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.57
▸ HSP90AB1 P08238 1/20 0.57
▸ ESR1 P03372 1/20 0.54
▸ HDAC8 Q9BY41 1/20 0.53
▸ HDAC6 Q9UBN7 1/20 0.53
▸ TP53 P04637 3/20 0.52
▸ NPC1 O15118 3/20 0.52
▸ RAB9A P51151 3/20 0.52
▸ KMT2A Q03164 6/20 0.50
▸ MEN1 O00255 4/20 0.50
▸ KCNK3 O14649 1/20 0.50
▸ THRB P10828 1/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.49
▸ TOP1 P11387 1/20 0.49
▸ PTGS1 P23219 1/20 0.48
▸ KCNK9 Q9NPC2 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ NR1H4 Q96RI1 1/20 0.47
▸ POLB P06746 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
SCHEMBL11145638 0.92 ESR1 (0.61) HSP90AA1HSP90AB1ESR1HDAC8HDAC6
SCHEMBL11140442 0.86 TP53 (0.66) ESR1HDAC8HDAC6TP53NPC1
SCHEMBL11141910 0.85 ESR1 (0.53) HSP90AA1HSP90AB1ESR1HDAC8HDAC6
SCHEMBL11136927 0.84 KCNK9 (0.52) HSP90AA1HSP90AB1ESR1HDAC8HDAC6
SCHEMBL22746195 0.79 NPC1 (0.63) HDAC8HDAC6NPC1RAB9AKMT2A
SCHEMBL11133928 0.78 ESR1 (0.51) ESR1HDAC6TP53NPC1RAB9A
SCHEMBL10242069 0.78 KMT2A (0.71) HSP90AA1HSP90AB1TP53NPC1RAB9A
SCHEMBL1264161 0.77 MEN1 (0.70) HSP90AA1HSP90AB1RAB9AKMT2AMEN1
SCHEMBL17831484 0.77 KCNK3 (0.71) HSP90AA1HSP90AB1TP53NPC1RAB9A
SCHEMBL13601061 0.77 LMNA (0.72) HDAC8HDAC6NPC1RAB9AKMT2A

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-4387210-A Process for producing aromatic polyester amide MITSUI TOATSU CHEMICAL, INC. (JP) 1983-06-07 — — US disclosed
EP-0055480-A1 Process for producing aromatic polyester amide MITSUI TOATSU CHEMICALS, Inc. (JP) 1982-07-07 — — EP disclosed
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