SCHEMBL11904567

SCHEMBL11904567

O=C(NOC(=O)C1CCCCC1)C1=CCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 7/20 0.49
HDAC1 Q13547 6/20 0.49
HDAC3 O15379 4/20 0.49
HDAC4 P56524 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
CCR2 P41597 1/20 0.40
CTSK P43235 1/20 0.40
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
RAB9A P51151 1/20 0.34
ATM Q13315 1/20 0.34
POLB P06746 1/20 0.33
MAPT P10636 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
SCHEMBL9033169 0.73 HDAC2 (0.47) HDAC2HDAC1HDAC3HDAC4HDAC8
SCHEMBL8678744 0.73 HDAC2 (0.43) HDAC2HDAC1HDAC3HDAC4HDAC8
SCHEMBL13479818 0.72 POLB (0.54) ALDH1A1SMN1; SMN2KMT2ARAB9AATM
SCHEMBL28330132 0.72 HDAC2 (0.60) HDAC2HDAC1HDAC3HDAC4HDAC8
Cyclohexane Carboxamide SCHEMBL10499934 0.71 HDAC2 (0.42) HDAC2HDAC1HDAC3HDAC4HDAC8
SCHEMBL27753290 0.70 RAB9A (0.56) HDAC2HDAC1HDAC3ALDH1A1KMT2A
SCHEMBL11015837 0.69 HDAC4 (0.43) HDAC2HDAC1HDAC3HDAC4HDAC8
SCHEMBL5515923 0.69
SCHEMBL13479779 0.69 HDAC8 (0.52) HDAC2HDAC1HDAC3HDAC8HDAC6
SCHEMBL15759686 0.68 HDAC2 (0.48) HDAC2HDAC1HDAC3HDAC4HDAC8

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-1975162-B1 OXAZOLONE DERIVATIVE SEIKAGAKU KOGYO CO LTD (JP) 2012-08-15 EP disclosed