Glutaral

Glutaral

SCHEMBL5081526

O=C(O)[C@H](Cc1c[nH]c2ccccc12)NO.O=CCCCC=O

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.61
KDM4E B2RXH2 2/20 0.57
MAPT P10636 2/20 0.57
APAF1 O14727 1/20 0.57
POLB P06746 1/20 0.57
RECQL P46063 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
ACE P12821 3/20 0.57
ECE1 P42892 4/20 0.56
SMN1; SMN2 Q16637 1/20 0.55
ITGB2 P05107 3/20 0.55
ICAM1 P05362 3/20 0.55
ITGAL P20701 3/20 0.55
MMP2 P08253 1/20 0.55
MMP9 P14780 1/20 0.55
MEN1 O00255 1/20 0.54
LMNA P02545 1/20 0.54
MPO P05164 1/20 0.54
TSHR P16473 1/20 0.54
BLM P54132 1/20 0.54

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
SCHEMBL170877 0.90 KDM4E (0.69) ALOX15KDM4EMAPTAPAF1POLB
SCHEMBL170878 0.90 KDM4E (0.69) ALOX15KDM4EMAPTAPAF1POLB
SCHEMBL991035 0.89 KDM4E (0.68) ALOX15KDM4EMAPTAPAF1POLB
Water SCHEMBL5384991 0.89 KDM4E (0.68) ALOX15KDM4EMAPTAPAF1POLB
SCHEMBL991039 0.89 KDM4E (0.68) ALOX15KDM4EMAPTAPAF1POLB
Water SCHEMBL5384989 0.89 KDM4E (0.68) ALOX15KDM4EMAPTAPAF1POLB
SCHEMBL28063888 0.85 ALOX15 (0.64) ALOX15POLBACEITGB2ICAM1
Dl-Tryptophan SCHEMBL27994236 0.83 KDM4E (0.80) ALOX15KDM4EMAPTAPAF1POLB
SCHEMBL3125993 0.82 ALOX15 (0.54) ALOX15KDM4EMAPTAPAF1POLB
SCHEMBL31036366 0.82 ALOX15 (0.66) ALOX15POLBACEECE1ITGB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1890701-A1 COMPOSITION FOR THE TREATMENT OF MULTIPLE SCLEROSIS GEMAC (FR) 2008-02-27 EP disclosed
WO-2006125930-A1 COMPOSITION FOR THE TREATMENT OF MULTIPLE SCLEROSIS GEMAC (FR) 2006-11-30 WO disclosed