SCHEMBL7685839

SCHEMBL7685839

COc1cccc(C(=O)C2CCCCC(=O)N2)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
KDM2B Q8NHM5 3/20 0.46
PARP1 P09874 1/20 0.44
KDM4E B2RXH2 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPK1 P28482 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 1/20 0.43
ALOX5 P09917 1/20 0.42

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
SCHEMBL991131 0.87 MCL1 (0.44) PARP1KDM4EMEN1KMT2AALDH1A1
SCHEMBL9621799 0.85 MCL1 (0.43) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL7683676 0.85 KMT2A (0.51) KDM2BKDM4EL3MBTL1MAPK1KMT2A
SCHEMBL38099 0.81 L3MBTL1 (0.48) KDM2BPARP1KDM4EL3MBTL1MEN1
SCHEMBL22557469 0.81 CES2 (0.50) CES2CES1KDM2BPARP1MAPK1
SCHEMBL22557226 0.81 CES2 (0.50) CES2CES1KDM2BPARP1MAPK1
SCHEMBL22557224 0.81 CES2 (0.50) CES2CES1KDM2BPARP1MAPK1
SCHEMBL38409 0.80 MCL1 (0.57) KDM4EL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL8014971 0.80 MCL1 (0.57) KDM4EL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL8645790 0.78 MCL1 (0.55) KDM4EL3MBTL1MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6352562-B1 NATURAL RUBBER STABLE TO THIS METHOD OF CLEANING THE PROCTER & GAMBLE CO. 2002-03-05 US disclosed
US-6197737-B1 MIXTURE CONTAINING PEROXYGEN BLEACHES THE PROCTER & GAMBLE COMPANY 2001-03-06 US disclosed
EP-0699189-B1 BLEACHING COMPOUNDS COMPRISING SUBSTITUTED BENZOYL CAPROLACTAM BLEACH ACTIVATORS PROCTER & GAMBLE (US) 1998-07-29 EP disclosed
EP-0699189-A1 BLEACHING COMPOUNDS COMPRISING SUBSTITUTED BENZOYL CAPROLACTAM BLEACH ACTIVATORS THE PROCTER & GAMBLE COMPANY (US) 1996-03-06 EP disclosed
WO-1994027970-A1 BLEACHING COMPOUNDS COMPRISING SUBSTITUTED BENZOYL CAPROLACTAM BLEACH ACTIVATORS THE PROCTER & GAMBLE COMPANY (US) 1994-12-08 WO disclosed