SCHEMBL8028222

SCHEMBL8028222

O=C1CCCC(C(=O)c2ccc(C(=O)C3CCCC(=O)N3)cc2)N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.39
ABL1 P00519 1/20 0.38
MAPK1 P28482 1/20 0.37
HDAC3 O15379 7/20 0.37
HDAC11 Q96DB2 7/20 0.37
HDAC6 Q9UBN7 7/20 0.37
HDAC1 Q13547 6/20 0.37
HDAC2 Q92769 6/20 0.37
HDAC10 Q969S8 6/20 0.37
HDAC8 Q9BY41 6/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NCOR2 Q9Y618 1/20 0.35
SRD5A2 P31213 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34

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
SCHEMBL993051 0.95 MCL1 (0.45) MCL1ABL1MAPK1SMN1; SMN2MEN1
SCHEMBL10531994 0.93 MCL1 (0.44) MCL1ABL1MAPK1SMN1; SMN2MEN1
SCHEMBL1933595 0.93 MCL1 (0.44) MCL1ABL1MAPK1SMN1; SMN2MEN1
SCHEMBL38246 0.91 MCL1 (0.50) MCL1HDAC3HDAC11HDAC6HDAC1
SCHEMBL11037176 0.89 SMN1; SMN2 (0.44) MCL1MAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL8645790 0.89 MCL1 (0.55) MCL1HDAC3HDAC11HDAC6HDAC1
SCHEMBL6225198 0.87 MGLL (0.40) MCL1MAPK1SMN1; SMN2KMT2A
SCHEMBL8436391 0.87 CES1 (0.44) MAPK1MEN1KMT2ASRD5A2GAA
SCHEMBL8014971 0.86 MCL1 (0.57) MCL1HDAC3HDAC11HDAC6HDAC1
SCHEMBL38409 0.86 MCL1 (0.57) MCL1HDAC3HDAC11HDAC6HDAC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0826025-B1 USE OF HETEROCYCLIC COMPOUNDS AS ACTIVATORS FOR INORGANIC PEROXY COMPOUNDS BASF AG (DE) 2000-03-01 EP claimed
EP-0756622-B1 BLEACH COMPOSITIONS COMPRISING PROTEASE ENZYME PROCTER & GAMBLE (US) 1999-12-15 EP claimed
EP-0754219-B1 BLEACH COMPOSITIONS COMPRISING BLEACH ACTIVATORS AND BLEACH CATALYSTS PROCTER & GAMBLE (US) 1998-09-09 EP claimed
EP-0826025-B1 USE OF HETEROCYCLIC COMPOUNDS AS ACTIVATORS FOR INORGANIC PEROXY COMPOUNDS BASF AG (DE) 2000-03-01 EP disclosed