SCHEMBL7796006

SCHEMBL7796006

O=C(CCN1C(=O)C2CCCCC2C1=O)OO

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.49
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 3/20 0.46
ATM Q13315 1/20 0.44
TP53 P04637 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
KMT2A Q03164 2/20 0.42
NPC1 O15118 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
SCHEMBL7804745 1.00 HTT (0.49) HTTRAB9ASMN1; SMN2ALDH1A1ATM
SCHEMBL10430582 0.94 HTT (0.44) HTTRAB9ASMN1; SMN2ALDH1A1ATM
SCHEMBL7802815 0.90 HTT (0.47) HTTRAB9ASMN1; SMN2ALDH1A1ATM
SCHEMBL7796009 0.90 HTT (0.47) HTTRAB9ASMN1; SMN2ALDH1A1ATM
SCHEMBL17532493 0.85 ALDH1A1 (0.48) HTTRAB9ASMN1; SMN2ALDH1A1ATM
SCHEMBL7806227 0.80 MAPK1 (0.53) HTTRAB9ASMN1; SMN2ALDH1A1ATM
SCHEMBL7802853 0.80 MAPK1 (0.53) HTTRAB9ASMN1; SMN2ALDH1A1ATM
SCHEMBL17532507 0.77 KMT2A (0.62) RAB9ASMN1; SMN2ALDH1A1L3MBTL1KMT2A
SCHEMBL17532412 0.77 ALDH1A1 (0.53) HTTRAB9ASMN1; SMN2ALDH1A1ATM
SCHEMBL5001199 0.75 ALDH1A1 (0.45) HTTRAB9ASMN1; SMN2ALDH1A1ATM

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-0366041-B2 Imido-percarboxylic acids AUSIMONT SPA (IT) 2001-09-12 EP claimed
EP-0366041-B1 Imido-percarboxylic acids AUSIMONT SPA (IT) 1998-08-05 EP claimed
US-5536434-A BLEACHES AUSIMONT S.P.A. (IT) 1996-07-16 US claimed