SCHEMBL7684693

SCHEMBL7684693

O=C1CCCCC(C(=O)c2cccc([N+](=O)[O-])c2)N1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
TP53 P04637 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 5/20 0.46
TSHR P16473 2/20 0.46
RXFP1 Q9HBX9 1/20 0.45
KCNH2 Q12809 1/20 0.45
TDP2 O95551 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL9068475 0.87 MEN1 (0.43) POLBCES2CES1TDP1ALDH1A1
SCHEMBL8068727 0.86 MGLL (0.41) POLBTDP1ALDH1A1MEN1KMT2A
SCHEMBL991131 0.86 MCL1 (0.44) ALDH1A1MEN1KMT2A
SCHEMBL38656 0.85 ALDH1A1 (0.43) POLBCES1TDP1ALDH1A1TSHR
SCHEMBL9621799 0.84 MCL1 (0.43) ALDH1A1MEN1KMT2A
SCHEMBL8436391 0.81 CES1 (0.44) CES2CES1TDP1ALDH1A1TSHR
SCHEMBL27732071 0.80 CES2 (0.53) POLBCES2CES1TP53ALDH1A1
SCHEMBL38099 0.80 L3MBTL1 (0.48) TP53ALDH1A1MEN1KMT2ALMNA
SCHEMBL8952018 0.80 MAPT (0.50) POLBCES2TP53TDP1ALDH1A1
SCHEMBL38409 0.79 MCL1 (0.57) POLBALDH1A1MEN1KMT2A

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