SCHEMBL7516432

SCHEMBL7516432

CC(C)(C)OC(=S)CCCCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
FAAH O00519 3/20 0.45
CES1 P23141 3/20 0.45
ALOX5 P09917 3/20 0.45
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC3 O15379 1/20 0.42
MAPK1 P28482 1/20 0.42
ADRA1A P35348 1/20 0.42
HDAC4 P56524 1/20 0.42
SLC6A3 Q01959 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42

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
SCHEMBL27477234 0.88 ALDH1A1 (0.46) MAPTHDAC2MAPK1SMN1; SMN2HDAC8
SCHEMBL9196120 0.80 MAPT (0.56) MAPTRXFP1FAAHCES1ALOX5
SCHEMBL27586622 0.79 MAPT (0.59) MAPTRXFP1FAAHCES1ALOX5
SCHEMBL29185461 0.77 CA12 (0.41) MAPTCES1MAPK1SMN1; SMN2L3MBTL1
SCHEMBL8088468 0.77 MAPT (0.51) MAPTRXFP1FAAHCES1ALOX5
SCHEMBL10561202 0.76 MMP12 (0.46) ALOX5HDAC2HDAC8HDAC6L3MBTL1
SCHEMBL11218059 0.75 HDAC1 (0.52) HDAC1HDAC2HDAC3MAPK1ADRA1A
SCHEMBL27689037 0.75 MAPT (0.50) MAPTRXFP1FAAHCES1ALOX5
SCHEMBL10578604 0.75 HDAC1 (0.56) MAPTRXFP1ALOX5HDAC1HDAC2
SCHEMBL2440152 0.74 MAPT (0.61) MAPTRXFP1FAAHCES1ALOX5

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-0774453-B1 Process for producing 3-amino-2-oxo-1-halogenopropane derivatives AJINOMOTO KK (JP) 2002-02-06 EP disclosed