SCHEMBL7688173

SCHEMBL7688173

Cc1ccc(C(=O)C2CCCCC(=O)N2)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SIRT1 Q96EB6 1/20 0.38
HDAC1 Q13547 3/20 0.36
HDAC6 Q9UBN7 3/20 0.36
HDAC3 O15379 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC10 Q969S8 2/20 0.36
HDAC11 Q96DB2 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
DDB1 Q16531 2/20 0.36
CRBN Q96SW2 2/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.35
CYP2D6 P10635 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 2/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
PDE2A O00408 1/20 0.35

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
SCHEMBL6221069 0.83 NPC1 (0.44) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL11594493 0.81 MCL1 (0.35) HDAC1HDAC6HDAC3HDAC2HDAC10
SCHEMBL31032494 0.78 MCL1 (0.42) HDAC1HDAC6HDAC3HDAC2HDAC10
SCHEMBL993051 0.78 MCL1 (0.45) NPC1RAB9AGAAMEN1KMT2A
SCHEMBL10531994 0.76 MCL1 (0.44) GAAMEN1KMT2A
SCHEMBL1933595 0.76 MCL1 (0.44) GAAMEN1KMT2A
SCHEMBL9005424 0.76 LMNA (0.37) NPC1RAB9AHDAC1HDAC6HDAC3
SCHEMBL6251197 0.76 TSHR (0.41) NPC1RAB9ALMNA
SCHEMBL9812944 0.76 ABL1 (0.40) NPC1RAB9AHDAC1HDAC6HDAC3
SCHEMBL7688222 0.75 PIN1 (0.49) DDB1CRBNMEN1KMT2ALMNA

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 7 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
CN-1066715-C Bleaching compounds comprising substituted benzoyl caprolactam bleach activators PROCTER & GAMBLE (US) 2001-06-06 CN 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
CN-1124025-A Bleaching compounds comprising substituted benzoyl caprolactam bleach activators PROCTER & GAMBLE (US) 1996-06-05 CN 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