SCHEMBL11138232

SCHEMBL11138232

CC(C)(c1ccc(O)cc1)c1ccc(C(=O)Nc2cccc(C(=O)Cl)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK9 Q9NPC2 2/20 0.57
KMT2A Q03164 6/20 0.52
RAB9A P51151 5/20 0.52
MEN1 O00255 4/20 0.52
NPC1 O15118 4/20 0.52
LMNA P02545 2/20 0.52
MAPT P10636 1/20 0.52
KCNK3 O14649 2/20 0.52
NR1H4 Q96RI1 4/20 0.52
HDAC3 O15379 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
PPARG P37231 2/20 0.50
HTT P42858 1/20 0.49
POLB P06746 1/20 0.49
TP53 P04637 3/20 0.48
MAPK1 P28482 1/20 0.48
NQO2 P16083 1/20 0.48
THRB P10828 1/20 0.47
SMN1; SMN2 Q16637 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
SCHEMBL11136963 0.91 RAB9A (0.54) KCNK9KMT2ARAB9AMEN1NPC1
SCHEMBL11136927 0.88 KCNK9 (0.52) KCNK9KMT2ARAB9AMEN1NPC1
SCHEMBL11139102 0.87 KCNK9 (0.48) KCNK9KMT2ARAB9AMEN1NPC1
SCHEMBL11133844 0.85 RAB9A (0.49) KCNK9KMT2ARAB9AMEN1NPC1
SCHEMBL11138094 0.85 NPC1 (0.55) KMT2ARAB9AMEN1NPC1NR1H4
Bisphenol A SCHEMBL8943594 0.84 ESR1 (0.56) KCNK9KMT2ARAB9AMEN1LMNA
Bisphenol A SCHEMBL5682512 0.83 ESR1 (0.54) KCNK9KMT2AMEN1LMNAMAPT
SCHEMBL11140442 0.82 TP53 (0.66) KCNK9KMT2ARAB9AMEN1NPC1
SCHEMBL2104422 0.81 RAB9A (0.69) KMT2ARAB9AMEN1NPC1LMNA
SCHEMBL2104420 0.80 KCNK3 (0.61) KCNK9KMT2ARAB9AMEN1NPC1

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