SCHEMBL11289084

SCHEMBL11289084

CC(C)(N)CNC(=O)CNC(=O)CNC(=O)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.52
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
PKM P14618 1/20 0.48
CSNK1D P48730 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
MEN1 O00255 2/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MAPT P10636 1/20 0.46
SLC6A9 P48067 1/20 0.46
POLB P06746 1/20 0.46
ATM Q13315 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
NPC1 O15118 1/20 0.44

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
SCHEMBL10460943 0.94 MEN1 (0.52) KMT2ACRHBPCRHR2L3MBTL1GAA
Bromide SCHEMBL11109409 0.92 MEN1 (0.50) KMT2ACRHBPCRHR2L3MBTL1GAA
Hydrochloric Acid SCHEMBL11223174 0.92 GAA (0.50) KMT2ACRHBPCRHR2L3MBTL1GAA
SCHEMBL13701830 0.80 MEN1 (0.55) KMT2ACRHBPCRHR2L3MBTL1GAA
SCHEMBL11288784 0.80 GPR139 (0.52) KMT2ACSNK1DL3MBTL1GAAMEN1
SCHEMBL11433691 0.80 CRHBP (0.61) KMT2ACRHBPCRHR2GAAHPGD
SCHEMBL11288698 0.79 ATM (0.59) KMT2ACRHBPCRHR2PKML3MBTL1
SCHEMBL11489196 0.78 POLB (0.56) KMT2APKMHPGDMEN1MAPT
SCHEMBL27837335 0.78 GAA (0.49) KMT2ACRHBPCRHR2L3MBTL1GAA
SCHEMBL16406524 0.78 CRHBP (0.55) KMT2ACRHBPCRHR2PKMCSNK1D

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-0006298-B1 ANTI-INFLAMMATORY 1-PHENYL-2-AMINOETHANOL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS THEREOF FOR TOPICAL USE, AND PROCESSES FOR THEIR MANUFACTURE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-03-31 EP disclosed
EP-0006298-A1 Anti-inflammatory 1-phenyl-2-aminoethanol derivatives, pharmaceutical compositions thereof for topical use, and processes for their manufacture IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1980-01-09 EP disclosed