SCHEMBL5531394

SCHEMBL5531394

CCCC(=O)CC(=O)C(C)(C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.39
HDAC1 Q13547 4/20 0.39
HDAC2 Q92769 4/20 0.39
HDAC8 Q9BY41 4/20 0.39
FFAR3 O14843 3/20 0.39
HAO1 Q9UJM8 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
HDAC6 Q9UBN7 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
CTSD P07339 1/20 0.33
KDM4E B2RXH2 1/20 0.32
KDM6B O15054 1/20 0.32
KDM5C P41229 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
PHF8 Q9UPP1 1/20 0.32
KDM2A Q9Y2K7 1/20 0.32
TSHR P16473 2/20 0.32
ALDH1A1 P00352 3/20 0.31
NAALAD2 Q9Y3Q0 1/20 0.31

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
SCHEMBL5547489 0.82 TDP1 (0.41) FFAR3KDM4CTSHRALDH1A1
SCHEMBL7454835 0.81 HDAC3 (0.46) HDAC3HDAC1HDAC2HDAC8FFAR3
Ammonia Solution, Strong SCHEMBL28105766 0.81 FFAR3 (0.37) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL5705918 0.79 CES1 (0.39) HDAC3HDAC1HDAC2HDAC8FFAR3
Fluoride SCHEMBL27465108 0.77 CES1 (0.38) HDAC3HDAC1HDAC2HDAC8FFAR3
Calcium SCHEMBL30593430 0.77 CES1 (0.38) HDAC3HDAC1HDAC2HDAC8FFAR3
Formic Acid SCHEMBL6262630 0.74 HDAC3 (0.39) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL362834 0.74 LDHA (0.42) FFAR3KDM4CKDM4ETSHRALDH1A1
Tert-Butanol SCHEMBL28438428 0.73 HDAC3 (0.48) HDAC3HDAC1HDAC2HDAC8FFAR3
Tert-Butanol SCHEMBL28480842 0.73 HDAC3 (0.48) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003023343-A1 FLUORESCENCE EMISSION RATIO IMAGING THERMOGRAPHY FOR USE IN HEAT TRANSFER ANALYSIS MICHIGAN STATE UNIVERSITY (US) 2003-03-20 WO claimed
US-20070181844-A1 LOW VISCOSITY PRECURSOR COMPOSITIONS AND METHODS FOR THE DEPOSITION OF CONDUCTIVE ELECTRONIC FEATURES CABOT CORPORATION (US) 2007-08-09 US disclosed
US-20070122932-A1 Methods and compositions for the formation of recessed electrical features on a substrate CABOT CORPORATION (US) 2007-05-31 US disclosed
US-20070117271-A1 Methods and compositions for the formation of recessed electrical features on a substrate CABOT CORPORATION (US) 2007-05-24 US disclosed