Glutaral

Glutaral

SCHEMBL7745284

Cn1c(=O)sc2ccccc21.O=CCCCC=O

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F12 P00748 1/20 0.49
L3MBTL1 Q9Y468 5/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2D6 P10635 3/20 0.43
CYP2C19 P33261 3/20 0.43
NPC1 O15118 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
ATM Q13315 1/20 0.43
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TSHR P16473 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
SCHEMBL61339 0.85 F12 (0.59) F12L3MBTL1NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL1719468 0.83 F12 (0.57) F12L3MBTL1NPC1RAB9ASMN1; SMN2
Formaldehyde SCHEMBL28698810 0.83 F12 (0.57) F12L3MBTL1NPC1RAB9ASMN1; SMN2
Hydrazine SCHEMBL654287 0.81 F12 (0.55) F12L3MBTL1NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL28900590 0.81 F12 (0.55) F12L3MBTL1NPC1RAB9ASMN1; SMN2
Hydrazine SCHEMBL9146358 0.80 F12 (0.53) F12L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL10491687 0.74 KMT2A (0.50) F12L3MBTL1CYP3A4CYP2C19NPC1
Hydrazine SCHEMBL145701 0.71 MAPT (0.49) F12L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL14199347 0.70 L3MBTL1 (0.60) L3MBTL1CYP3A4CYP2D6CYP2C19NPC1
Iminostilbene SCHEMBL8502208 0.70 GAA (0.47) F12L3MBTL1CYP3A4CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1113995-A4 METHOD OF CONTROLLING BIOFOULING IN AQUEOUS MEDIA USING ANTIMICROBIAL EMULSIONS NALCO CHEMICAL CO (US) 2001-12-12 EP disclosed
EP-1113995-A1 METHOD OF CONTROLLING BIOFOULING IN AQUEOUS MEDIA USING ANTIMICROBIAL EMULSIONS NALCO CHEMICAL COMPANY (US) 2001-07-11 EP disclosed
US-6096225-A OIL IN WATER EMULSION WITH MICROBIOCIDE OIL PHASE NALCO CHEMICAL COMPANY (US) 2000-08-01 US disclosed
WO-2000015562-A1 METHOD OF CONTROLLING BIOFOULING IN AQUEOUS MEDIA USING ANTIMICROBIAL EMULSIONS NALCO CHEMICAL COMPANY (US) 2000-03-23 WO disclosed