SCHEMBL28065461

SCHEMBL28065461

C=C(C(=O)O)C(O)C1=CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
ACMSD Q8TDX5 1/20 0.30
HPGD P15428 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL10171591 0.81 HDAC4 (0.38) HDAC4HDAC2HDAC8HDAC6ACMSD
SCHEMBL36366 0.78 HDAC3 (0.33) HDAC4HDAC2HDAC8HDAC6
SCHEMBL8526006 0.74 CES2 (0.52) HPGDNPSR1
SCHEMBL10886779 0.71 KDM4E (0.39) HDAC4HDAC2HDAC8HDAC6
SCHEMBL2919621 0.71 HDAC4 (0.39) HDAC4HDAC2HDAC8HDAC6ACMSD
SCHEMBL27765782 0.70
SCHEMBL5706630 0.69
SCHEMBL10448779 0.69 IDO1 (0.35) HDAC4HDAC2HDAC8HDAC6ACMSD
SCHEMBL4283332 0.69 NR1I2 (0.39) HDAC4HDAC2HDAC8HDAC6ACMSD
SCHEMBL8045674 0.68 HDAC4 (0.37) HDAC4HDAC2HDAC8HDAC6ACMSD

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
CN-102549059-B Anaerobic curing composition Henkel IP & Holding GmbH (DE) 2016-05-18 CN disclosed