SCHEMBL8079386

SCHEMBL8079386

CC(C)(C)NN(Cc1ccco1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.50
ALOX5 P09917 1/20 0.46
MAPT P10636 4/20 0.45
NPSR1 Q6W5P4 4/20 0.44
POLB P06746 2/20 0.44
TP53 P04637 2/20 0.43
TSHR P16473 3/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 1/20 0.42
GFER P55789 1/20 0.42
PPARA Q07869 1/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL3323146 0.77 AKT1 (0.50) RIPK1MAPTNPSR1ALDH1A1MEN1
SCHEMBL28116359 0.74 RIPK1 (0.62) RIPK1ALOX5MAPTNPSR1POLB
SCHEMBL6235763 0.73 RIPK1 (0.50) RIPK1MAPTNPSR1POLBTSHR
SCHEMBL8064136 0.73 ALOX5 (0.46) ALOX5TSHRALDH1A1
SCHEMBL29206617 0.70 RIPK1 (0.57) RIPK1ALOX5MAPTNPSR1TSHR
SCHEMBL10223246 0.70 RIPK1 (0.75) RIPK1ALOX5MAPTNPSR1POLB
SCHEMBL24391228 0.70 RIPK1 (0.61) RIPK1ALOX5MAPTNPSR1POLB
SCHEMBL21393181 0.70 MAPK1 (0.66) RIPK1ALOX5MAPTNPSR1POLB
SCHEMBL11050213 0.69 THRA (0.55) RIPK1ALOX5MAPTNPSR1POLB
SCHEMBL13887643 0.69 RIPK1 (0.46) RIPK1ALOX5MAPTNPSR1TSHR

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