SCHEMBL8746573

SCHEMBL8746573

CCCCS(=O)(=O)ONC(C)CC

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.32
S1PR2 O95136 1/20 0.32
S1PR4 O95977 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
XBP1 P17861 1/20 0.32
S1PR1 P21453 1/20 0.32
MAPK1 P28482 1/20 0.32
AGTR1 P30556 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CA2 P00918 2/20 0.32
CNR1 P21554 1/20 0.31

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
SCHEMBL8746601 0.88 SMN1; SMN2 (0.30) SMN1; SMN2
SCHEMBL6208873 0.81 MMP1 (0.30) ALDH1A1TP53SMN1; SMN2HSD17B10
SCHEMBL28324326 0.78 CA1 (0.31) NPC1S1PR2S1PR4ALDH1A1LMNA
SCHEMBL28325412 0.76 ADH1B (0.38) ALDH1A1TP53SMN1; SMN2CA2CA12
SCHEMBL28197509 0.76 CA2 (0.42) MAPK1CA2CA1
SCHEMBL4407846 0.75 ADH1B (0.43) TP53CA2CNR1
SCHEMBL27865718 0.73 NPC1 (0.38) NPC1S1PR2S1PR4ALDH1A1LMNA
SCHEMBL6210501 0.71
SCHEMBL28325410 0.69 CA1 (0.43) NPC1S1PR2S1PR4ALDH1A1LMNA
SCHEMBL2039433 0.69 NPC1 (0.40) NPC1S1PR2S1PR4ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0759190-A1 N-ALKYLHYDROXYLAMINE DERIVATIVES AND THEIR USE AS ANTIOXIDANTS IN PHOTOGRAPHIC COLOR DEVELOPERS AND PROCESSING METHODS EASTMAN KODAK COMPANY (US) 1997-02-26 EP claimed
WO-1996028761-A1 N-ALKYLHYDROXYLAMINE DERIVATIVES AND THEIR USE AS ANTIOXIDANTS IN PHOTOGRAPHIC COLOR DEVELOPERS AND PROCESSING METHODS EASTMAN KODAK COMPANY (US) 1996-09-19 WO claimed
CN-110396165-A Ionic hydrophilic polyisocyanates and antioxidant COVESTRO DEUTSCHLAND AG 2019-11-01 CN disclosed
CN-110396173-A Ionic hydrophilic polyisocyanates and free radical scavenger and/or peroxide decomposer COVESTRO DEUTSCHLAND AG 2019-11-01 CN disclosed
EP-0759190-A1 N-ALKYLHYDROXYLAMINE DERIVATIVES AND THEIR USE AS ANTIOXIDANTS IN PHOTOGRAPHIC COLOR DEVELOPERS AND PROCESSING METHODS EASTMAN KODAK COMPANY (US) 1997-02-26 EP disclosed
WO-1996028761-A1 N-ALKYLHYDROXYLAMINE DERIVATIVES AND THEIR USE AS ANTIOXIDANTS IN PHOTOGRAPHIC COLOR DEVELOPERS AND PROCESSING METHODS EASTMAN KODAK COMPANY (US) 1996-09-19 WO disclosed