SCHEMBL7690835

SCHEMBL7690835

CCCOc1ccc(C(=O)C2CCCCC(=O)N2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
PLK1 P53350 1/20 0.44
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 1/20 0.43
NAAA Q02083 1/20 0.43
ASAH1 Q13510 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 1/20 0.42
THRB P10828 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL7688574 0.95 KMT2A (0.47) L3MBTL1ALDH1A1MAPK1KMT2APOLB
SCHEMBL7679619 0.90 MAPK1 (0.45) GAAL3MBTL1PLK1MAPTALDH1A1
SCHEMBL7683676 0.86 KMT2A (0.51) L3MBTL1ALDH1A1MAPK1LMNAHTT
SCHEMBL993051 0.83 MCL1 (0.45) GAAMAPK1KMT2APOLB
SCHEMBL1933595 0.81 MCL1 (0.44) GAAMAPK1KMT2A
SCHEMBL10531994 0.81 MCL1 (0.44) GAAMAPK1KMT2A
SCHEMBL7690183 0.80 THRA (0.47) PLK1ALDH1A1NAAAASAH1HSD17B10
SCHEMBL6223559 0.79 TP53 (0.44) MAPTLMNAKMT2ATSHR
SCHEMBL11701844 0.77 HRH2 (0.58) L3MBTL1PLK1CYP1A2CYP2D6CYP2C19
Propylene Glycol SCHEMBL11497812 0.77 MAPK1 (0.38) GAAALDH1A1MAPK1HPGD

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