SCHEMBL8778499

SCHEMBL8778499

O=C1CC(Cl)CCCN1C(=O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.61
SMN1; SMN2 Q16637 1/20 0.49
HPGD P15428 2/20 0.44
KDM4E B2RXH2 3/20 0.43
POLB P06746 1/20 0.43
L3MBTL3 Q96JM7 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ACHE P22303 1/20 0.43
GAA P10253 1/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 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
SCHEMBL10721792 0.92 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2HPGDKDM4EL3MBTL3
SCHEMBL8778572 0.91 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2HPGDL3MBTL3L3MBTL1
SCHEMBL10722292 0.90 ALDH1A1 (0.49) ALDH1A1L3MBTL3L3MBTL1
SCHEMBL10720462 0.86 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2L3MBTL3L3MBTL1
SCHEMBL8778583 0.81 KMT2A (0.49) ALDH1A1SMN1; SMN2HPGDPOLBMEN1
SCHEMBL8778471 0.80 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2HPGDKDM4EPOLB
SCHEMBL1002469 0.77 CYP1A2 (0.64) ALDH1A1SMN1; SMN2HPGDKDM4EPOLB
SCHEMBL21001948 0.77 ACHE (0.59) ALDH1A1SMN1; SMN2HPGDACHEPDE4A
SCHEMBL8778504 0.76 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2HPGDKDM4EPOLB
SCHEMBL6960124 0.76 SMN1; SMN2 (0.63) ALDH1A1SMN1; SMN2HPGDKDM4EMEN1

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