SCHEMBL8079384

SCHEMBL8079384

CC(C)(CCc1ccco1)N(N)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.43
ALOX5 P09917 1/20 0.42
ALDH1A1 P00352 2/20 0.40
RAB9A P51151 3/20 0.39
NPC1 O15118 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 3/20 0.38
TP53 P04637 2/20 0.38
TSHR P16473 2/20 0.38
POLB P06746 2/20 0.37
USP2 O75604 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TAS2R14 Q9NYV8 1/20 0.37
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL17473820 0.76 RIPK1 (0.48) RIPK1ALOX5ALDH1A1RAB9ANPC1
SCHEMBL6235762 0.73 RIPK1 (0.46) RIPK1RAB9ANPC1POLBSMN1; SMN2
SCHEMBL1027467 0.73 RIPK1 (0.44) RIPK1ALOX5ALDH1A1RAB9ANPC1
SCHEMBL14443187 0.71 ALDH1A1 (0.43) RIPK1ALOX5ALDH1A1RAB9ANPC1
Bicarbonate SCHEMBL29658892 0.71 ALDH1A1 (0.52) ALOX5ALDH1A1L3MBTL1TSHRUSP2
SCHEMBL385865 0.70 ALDH1A1 (0.44) RIPK1ALOX5ALDH1A1RAB9ANPC1
Acetic Acid SCHEMBL29696676 0.67 ALDH1A1 (0.53) ALOX5ALDH1A1RAB9ANPC1L3MBTL1
SCHEMBL236223 0.67 ALDH1A1 (0.54) ALOX5ALDH1A1RAB9AL3MBTL1MAPT
SCHEMBL3174802 0.66 RIPK1 (0.50) RIPK1ALOX5ALDH1A1RAB9AMAPT
SCHEMBL424806 0.66 HIF1A (0.48) RIPK1ALDH1A1RAB9ANPC1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6103721-A TREATMENT OF STROKE ANOXIA; ANTIHYPERGLYCEMIC,-ISCHEMIC AND -EPILEPTIC AGENTS ZENECA LIMITED (GB) 2000-08-15 US disclosed