SCHEMBL9779472

SCHEMBL9779472

CC(C)(C)OC(=O)C(N)c1cccs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.43
KEAP1 Q14145 2/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
ALDH1A1 P00352 3/20 0.36
CTSK P43235 2/20 0.36
CTSS P25774 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
CTSC P53634 1/20 0.35
MAPT P10636 3/20 0.34
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
CHRM3 P20309 1/20 0.34
GAA P10253 2/20 0.33
F9 P00740 1/20 0.33

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
SCHEMBL11502413 0.83 ALOX5 (0.45) ALOX5KEAP1CES2CES1ALDH1A1
SCHEMBL202116 0.81 ALOX5 (0.46) ALOX5KEAP1CES2CES1ALDH1A1
SCHEMBL6649268 0.81 SLC1A3 (0.42) ALOX5KEAP1CES2CES1ALDH1A1
Hydrochloric Acid SCHEMBL11903029 0.80 ALOX5 (0.45) ALOX5KEAP1CES2CES1ALDH1A1
Hydrochloric Acid SCHEMBL3625170 0.80 ALOX5 (0.45) ALOX5KEAP1CES2CES1ALDH1A1
SCHEMBL6647754 0.80 ALOX5 (0.38) ALOX5KEAP1CES2CES1ALDH1A1
SCHEMBL6753886 0.80 ALOX5 (0.38) ALOX5KEAP1CES2CES1ALDH1A1
SCHEMBL11522091 0.79 LMNA (0.40) ALOX5KEAP1CES2CES1ALDH1A1
SCHEMBL11248301 0.79 LMNA (0.40) ALOX5KEAP1CES2CES1ALDH1A1
SCHEMBL6032863 0.79 ALOX5 (0.44) ALOX5KEAP1CES2CES1ALDH1A1

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-5015659-A Cognition activators to slow aging of the brain CASSELLA AKTIENGESELLSCHAFT (DE) 1991-05-14 US disclosed