SCHEMBL8028310

SCHEMBL8028310

CC[C](CC)C(C)CCC(=O)NO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 7/20 0.48
HDAC6 Q9UBN7 7/20 0.48
HDAC3 O15379 6/20 0.48
HDAC1 Q13547 6/20 0.48
HDAC2 Q92769 6/20 0.48
FOLH1 Q04609 4/20 0.44
HSP90AA1 P07900 1/20 0.42
CYP1A2 P05177 1/20 0.40
HDAC5 Q9UQL6 5/20 0.39
KDM4E B2RXH2 1/20 0.38
KDM6B O15054 1/20 0.38
KDM5C P41229 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
PHF8 Q9UPP1 1/20 0.38
KDM2A Q9Y2K7 1/20 0.38
HDAC7 Q8WUI4 4/20 0.37
HDAC9 Q9UKV0 4/20 0.37
HDAC4 P56524 3/20 0.37
HDAC10 Q969S8 3/20 0.37
HDAC11 Q96DB2 3/20 0.37

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
SCHEMBL15480440 0.75 HDAC3 (0.54) HDAC8HDAC6HDAC3HDAC1HDAC2
SCHEMBL7498699 0.75
SCHEMBL11860524 0.74 HDAC8 (0.52) HDAC8HDAC6HDAC3HDAC1HDAC2
SCHEMBL18392564 0.70 FOLH1 (0.47) HDAC8HDAC6HDAC3HDAC1HDAC2
SCHEMBL15334827 0.69 HDAC3 (0.42) HDAC8HDAC6HDAC3HDAC1HDAC2
SCHEMBL15372620 0.69 HDAC3 (0.42) HDAC8HDAC6HDAC3HDAC1HDAC2
SCHEMBL11416578 0.69 FOLH1 (0.47) HDAC8HDAC6HDAC3HDAC1HDAC2
SCHEMBL17210684 0.69 HDAC3 (0.46) HDAC8HDAC6HDAC3HDAC1HDAC2
SCHEMBL10042367 0.68 FOLH1 (0.45) HDAC8HDAC6HDAC3HDAC1HDAC2
SCHEMBL15231385 0.68 HDAC3 (0.50) HDAC8HDAC6HDAC3HDAC1HDAC2

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-0861226-B1 SYNTHESIS OF CARBOXYLIC ACID DERIVATIVES BRITISH BIOTECH PHARM (GB) 2000-02-23 EP disclosed
US-5986132-A Synthesis of carboxylic acid derivatives BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 1999-11-16 US disclosed