SCHEMBL7514728

SCHEMBL7514728

O=C(CCCc1ccccc1)NC(F)(F)F

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.64
HDAC2 Q92769 4/20 0.64
HDAC3 O15379 3/20 0.64
HDAC8 Q9BY41 3/20 0.64
HDAC6 Q9UBN7 3/20 0.64
HDAC5 Q9UQL6 3/20 0.64
SMN1; SMN2 Q16637 2/20 0.56
HDAC4 P56524 2/20 0.56
HDAC7 Q8WUI4 2/20 0.56
HDAC10 Q969S8 2/20 0.56
HDAC11 Q96DB2 2/20 0.56
HDAC9 Q9UKV0 2/20 0.56
MAPK1 P28482 1/20 0.56
ADRA1A P35348 1/20 0.56
SLC6A3 Q01959 1/20 0.56
ALOX5 P09917 1/20 0.56
LMNA P02545 1/20 0.55
FAAH O00519 3/20 0.54
CES1 P23141 3/20 0.54
TRPV1 Q8NER1 2/20 0.54

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
SCHEMBL6017226 0.93 HDAC1 (0.66) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL4778260 0.89 HDAC2 (0.61) HDAC1HDAC2HDAC8HDAC6SMN1; SMN2
Hydrochloric Acid SCHEMBL6557840 0.88 HDAC2 (0.59) HDAC1HDAC2HDAC8HDAC6SMN1; SMN2
SCHEMBL12376676 0.83 HDAC1 (0.64) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL26393868 0.81 HDAC1 (0.62) HDAC1HDAC2HDAC3HDAC8HDAC6
Trifluoroacetic Acid SCHEMBL6463893 0.79 HDAC1 (0.58) HDAC1HDAC2HDAC3HDAC8HDAC6
Phenylbutyrylhydroxamic Acid SCHEMBL1350853 0.78 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL3408645 0.78 MEN1 (0.59) HDAC8HDAC6SMN1; SMN2CES1HPGD
SCHEMBL13611937 0.77 HDAC1 (0.66) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL622139 0.77 HDAC1 (0.70) HDAC1HDAC2HDAC3HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1073633-A2 SUBSTITUTED BETA-AMINO ACID INHIBITORS OF METHIONINE AMINOPEPTIDASE-2 ABBOTT LABORATORIES (US) 2001-02-07 EP claimed
WO-1999057098-A2 SUBSTITUTED BETA-AMINO ACID INHIBITORS OF METHIONINE AMINOPEPTIDASE-2 ABBOTT LABORATORIES (US) 1999-11-11 WO claimed