SCHEMBL542872

SCHEMBL542872

CCCC(=O)CC(=O)[O-].[Al+]

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.57
HDAC1 Q13547 4/20 0.57
HDAC2 Q92769 4/20 0.57
HDAC8 Q9BY41 4/20 0.57
FFAR3 O14843 3/20 0.57
CES2 O00748 2/20 0.48
CES1 P23141 2/20 0.48
CA4 P22748 2/20 0.45
CA1 P00915 1/20 0.44
HAO1 Q9UJM8 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CTSD P07339 1/20 0.39
TSHR P16473 1/20 0.38
BBOX1 O75936 1/20 0.37
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL49244 0.95 HDAC3 (0.57) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL21219168 0.95 HDAC3 (0.57) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL21236946 0.95 HDAC3 (0.57) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL21219170 0.95 HDAC3 (0.57) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL21219172 0.95 HDAC3 (0.57) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL21219178 0.95 HDAC3 (0.57) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL21219180 0.95 HDAC3 (0.57) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL21219182 0.95 HDAC3 (0.57) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL21219174 0.95 HDAC3 (0.57) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL11256023 0.95 HDAC3 (0.57) HDAC3HDAC1HDAC2HDAC8FFAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2092377-B1 OPTICAL ARTICLE COMPRISING A DOUBLE-LAYER ABRASION AND SCRATCH RESISTANT COATING AND METHOD FOR PRODUCTION THEREOF ESSILOR INT (FR) 2012-02-08 EP claimed
US-10421864-B2 Metal surface processing agent NOK CORPORATION (JP) 2019-09-24 US disclosed
US-10421865-B2 Rubber-metal adhesive NOK CORPORATION (JP) 2019-09-24 US disclosed
EP-2930257-B1 METAL SURFACE PROCESSING AGENT NOK CORP (JP) 2017-09-27 EP disclosed
US-20170037254-A1 RUBBER-METAL ADHESIVE NOK CORPORATION (JP) 2017-02-09 US disclosed
EP-2930257-A1 METAL SURFACE PROCESSING AGENT NOK Corporation (JP) 2015-10-14 EP disclosed
US-20150274989-A1 Metal Surface Processing Agent NOK CORPORATION (JP) 2015-10-01 US disclosed