SCHEMBL8778587

SCHEMBL8778587

O=C(c1ccc([N+](=O)[O-])cc1)N1CCCCC(Cl)C1=O

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.70
KMT2A Q03164 2/20 0.52
POLB P06746 2/20 0.48
MEN1 O00255 1/20 0.48
EPHX2 P34913 1/20 0.47
MGLL Q99685 1/20 0.47
HSD11B1 P28845 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
ATM Q13315 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
LMNA P02545 2/20 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
SCHEMBL8778504 0.81 ALDH1A1 (1.00) ALDH1A1POLBSMN1; SMN2
SCHEMBL8778583 0.80 KMT2A (0.49) ALDH1A1KMT2APOLBMEN1EPHX2
SCHEMBL7345512 0.78 KDM4E (0.47) ALDH1A1KMT2AMEN1HTTLMNA
SCHEMBL8538882 0.77 SMN1; SMN2 (0.58) ALDH1A1KMT2APOLBMEN1HTT
SCHEMBL7343106 0.76 AVPR1A (0.44) ALDH1A1KMT2APOLBMEN1EPHX2
SCHEMBL8545715 0.76 SMN1; SMN2 (0.60) ALDH1A1KMT2APOLBMEN1HTT
SCHEMBL8440899 0.75 KMT2A (0.58) ALDH1A1KMT2APOLBMEN1HTT
SCHEMBL3094898 0.73 KMT2A (0.59) ALDH1A1KMT2APOLBMEN1EPHX2
SCHEMBL1877246 0.73 KMT2A (0.80) ALDH1A1KMT2APOLBMEN1EPHX2
SCHEMBL6968459 0.72 BCHE (0.56) ALDH1A1KMT2APOLBMEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0804530-A1 BLEACHING COMPOSITIONS AND ADDITIVES COMPRISING BLEACH ACTIVATORS HAVING ALPHA-MODIFIED LACTAM LEAVING-GROUPS THE PROCTER & GAMBLE COMPANY (US) 1997-11-05 EP disclosed
US-5635103-A Bleaching compositions and additives comprising bleach activators having alpha-modified lactam leaving-groups THE PROCTER & GAMBLE COMPANY (US) 1997-06-03 US disclosed
WO-1996022350-A1 BLEACHING COMPOSITIONS AND ADDITIVES COMPRISING BLEACH ACTIVATORS HAVING ALPHA-MODIFIED LACTAM LEAVING-GROUPS THE PROCTER & GAMBLE COMPANY (US) 1996-07-25 WO disclosed