SCHEMBL7804032

SCHEMBL7804032

O=C(O)CCCN1C(=O)C2CCCCC2C1=O

nearest known ligand 0.80

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
ALDH1A1 P00352 2/20 0.45
RAB9A P51151 1/20 0.44
PTGS1 P23219 4/20 0.43
PTGS2 P35354 4/20 0.43
MAPK1 P28482 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTT P42858 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
SCHEMBL7802034 1.00 ATM (0.46) ATMALDH1A1RAB9APTGS1PTGS2
SCHEMBL9157558 0.93 PTGS1 (0.53) ATMALDH1A1PTGS1PTGS2MAPK1
SCHEMBL7802853 0.89 MAPK1 (0.53) ATMALDH1A1RAB9AMAPK1KMT2A
SCHEMBL7806227 0.89 MAPK1 (0.53) ATMALDH1A1RAB9AMAPK1KMT2A
SCHEMBL17532416 0.82 ALDH1A1 (0.50) ATMALDH1A1RAB9AMEN1KMT2A
SCHEMBL7796009 0.81 HTT (0.47) ATMALDH1A1RAB9AMAPK1MEN1
SCHEMBL7802815 0.81 HTT (0.47) ATMALDH1A1RAB9AMAPK1MEN1
SCHEMBL17532423 0.81 ALDH1A1 (0.49) ALDH1A1RAB9AMAPK1MEN1KMT2A
SCHEMBL10948563 0.81 ALDH1A1 (0.49) ALDH1A1RAB9AMAPK1MEN1KMT2A
SCHEMBL11510536 0.79 HTT (0.51) ALDH1A1RAB9AMEN1KMT2ASMN1; SMN2

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 7 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
EP-0366041-A2 Imido-percarboxylic acids AUSIMONT S.r.l. (IT) 1990-05-02 EP claimed
EP-0366041-B2 Imido-percarboxylic acids AUSIMONT SPA (IT) 2001-09-12 EP disclosed
EP-0366041-B1 Imido-percarboxylic acids AUSIMONT SPA (IT) 1998-08-05 EP disclosed
US-5536434-A BLEACHES AUSIMONT S.P.A. (IT) 1996-07-16 US disclosed
EP-0366041-A2 Imido-percarboxylic acids AUSIMONT S.r.l. (IT) 1990-05-02 EP disclosed