SCHEMBL17106090

SCHEMBL17106090

CCCCC(=O)CC(=O)[O-].CCCCC(=O)CC(=O)[O-].CCCO[Zr+2]OCCC

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.44
HAO1 Q9UJM8 1/20 0.41
CES1 P23141 6/20 0.39
CES2 O00748 5/20 0.39
FFAR3 O14843 2/20 0.34
HDAC3 O15379 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
FABP3 P05413 2/20 0.33
CA2 P00918 1/20 0.33
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL17106071 0.95 HAO1 (0.47) CA1HAO1CES1CES2FABP3
SCHEMBL17106100 0.93 HAO1 (0.50) HAO1CES1CES2FABP3MAPT
SCHEMBL17105987 0.93 CA1 (0.44) CA1HAO1CES1CES2FFAR3
SCHEMBL17106148 0.89 HDAC3 (0.41) CA1HAO1CES1CES2FFAR3
SCHEMBL17106051 0.88 HAO1 (0.47) CA1HAO1CES1CES2FABP3
SCHEMBL17106079 0.87 HAO1 (0.50) HAO1CES1CES2FABP3MAPT
SCHEMBL453162 0.86 CA1 (0.39) CA1HAO1CES1CES2FFAR3
SCHEMBL29408744 0.85 CA1 (0.38) CA1HAO1CES1CES2FFAR3
SCHEMBL17106098 0.84 FFAR3 (0.33) CA1FFAR3HDAC3HDAC1HDAC2
SCHEMBL742509 0.81 CA1 (0.58) CA1HAO1CES1CES2FFAR3

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
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
US-20170037254-A1 RUBBER-METAL ADHESIVE NOK CORPORATION (JP) 2017-02-09 US disclosed
US-20150274989-A1 Metal Surface Processing Agent NOK CORPORATION (JP) 2015-10-01 US disclosed