SCHEMBL10583161

SCHEMBL10583161

CC(C)C(C=O)c1cccs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.42
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
KEAP1 Q14145 1/20 0.38
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
GAA P10253 2/20 0.34
TSHR P16473 2/20 0.33
MAPT P10636 3/20 0.33
HSD17B2 P37059 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 2/20 0.33
LMNA P02545 2/20 0.33
PKM P14618 1/20 0.33
MC4R P32245 1/20 0.33
MEN1 O00255 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL4950283 0.79
SCHEMBL28305767 0.73 ALOX5 (0.44) ALOX5CES2CES1KEAP1ALDH1A1
SCHEMBL6429526 0.73 SLC1A3 (0.48) ALOX5CES2CES1KEAP1ALDH1A1
SCHEMBL25538848 0.72 ALOX5 (0.44) ALOX5CES2CES1KEAP1ALDH1A1
SCHEMBL12260372 0.72 ALOX5 (0.44) ALOX5CES2CES1KEAP1ALDH1A1
SCHEMBL4589933 0.72 ALOX5 (0.44) ALOX5CES2CES1KEAP1ALDH1A1
SCHEMBL919595 0.72
SCHEMBL467496 0.72
SCHEMBL1696274 0.71
SCHEMBL21495020 0.71

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
EP-0307476-A1 BILIRUBIN ANTIGEN, MONOCLONAL ANTIBODY THEREFOR, PROCESS FOR THEIR PREPARATION, AND THEIR USE KUKITA, Takeshi (JP) 1989-03-22 EP disclosed