SCHEMBL7937142

SCHEMBL7937142

Nc1ccccc1NC(=O)CCCCCC(=O)NCCN1CCOCC1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 16/20 0.64
HDAC1 Q13547 15/20 0.64
HDAC2 Q92769 10/20 0.60
HDAC10 Q969S8 8/20 0.60
HDAC6 Q9UBN7 8/20 0.60
HDAC11 Q96DB2 8/20 0.60
HDAC4 P56524 7/20 0.60
HDAC7 Q8WUI4 7/20 0.60
HDAC8 Q9BY41 7/20 0.60
HDAC9 Q9UKV0 7/20 0.60
HDAC5 Q9UQL6 7/20 0.60
NCOR2 Q9Y618 5/20 0.60
HSD17B10 Q99714 1/20 0.55

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
SCHEMBL1938432 0.78 HDAC3 (1.00) HDAC3HDAC1HDAC2HDAC10HDAC6
SCHEMBL8241153 0.78 HDAC3 (1.00) HDAC3HDAC1HDAC2HDAC10HDAC6
SCHEMBL13783984 0.77 HDAC1 (0.67) HDAC3HDAC1HDAC2HDAC10HDAC6
SCHEMBL8190979 0.76 HSD17B10 (0.55) HSD17B10
SCHEMBL26393846 0.76 HSD17B10 (0.65) HSD17B10
SCHEMBL13983936 0.76 HSD17B10 (0.59) HSD17B10
SCHEMBL1937918 0.75 HDAC3 (1.00) HDAC3HDAC1HDAC2NCOR2
SCHEMBL31673854 0.75 HDAC3 (1.00) HDAC3HDAC1HDAC2NCOR2
SCHEMBL7095242 0.74 POLB (0.68) HSD17B10
SCHEMBL9633498 0.74 FAAH (0.55) HDAC3HDAC1HDAC2HDAC10HDAC6

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
WO-2010028193-A1 COMPOUNDS INCLUDING PIMELIC ACID DERIVATIVES AS HDAC INHIBITORS REPLIGEN CORPORATION (US) 2010-03-11 WO disclosed