SCHEMBL865415

SCHEMBL865415

NC(CC(=O)[O-])(CC(=O)[O-])C(N)(CC(=O)[O-])CC(=O)[O-].[Mg+2].[Na+].[Na+]

nearest known ligand 0.48

Known targets — ChEMBL curated mechanism

ATP4AATP4BGABBR1GABBR2HMGCR

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA4 P22748 5/20 0.48
CASP1 P29466 1/20 0.38
FFAR3 O14843 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
MEN1 O00255 1/20 0.33
LDHA P00338 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
CA2 P00918 1/20 0.32
FAHD1 Q6P587 1/20 0.32
CA1 P00915 2/20 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
SCHEMBL1389538 0.97 CA4 (0.50) CA4CASP1FFAR3HDAC3HDAC1
SCHEMBL18076013 0.94 CA4 (0.42) CA4CASP1
SCHEMBL9656600 0.94 CA4 (0.55) CA4CASP1FFAR3HDAC3HDAC1
SCHEMBL11344222 0.94 CA4 (0.48) CA4CASP1FFAR3HDAC3HDAC1
Water SCHEMBL976875 0.94 CA4 (0.48) CA4CASP1FFAR3HDAC3HDAC1
SCHEMBL4705339 0.94 CA4 (0.48) CA4CASP1FFAR3HDAC3HDAC1
SCHEMBL8984838 0.94 CA4 (0.48) CA4CASP1FFAR3HDAC3HDAC1
SCHEMBL15251308 0.94 CA4 (0.48) CA4CASP1FFAR3HDAC3HDAC1
SCHEMBL6669346 0.94 CA4 (0.48) CA4CASP1FFAR3HDAC3HDAC1
Water SCHEMBL1133745 0.94 CA4 (0.48) CA4CASP1FFAR3HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9072304-B2 Compositions and methods for anti-transpiration in plants INNOVATION HAMMER, LLC (US) 2015-07-07 US claimed
US-20120077679-A1 Compositions And Methods For Anti-Transpiration In Plants INNOVATION HAMMER, LLC 2012-03-29 US claimed
EP-1827095-A2 COMPOSITIONS AND METHODS FOR ANTI-TRANSPIRATION IN PLANTS Nonomura, Arthur M. (US) 2007-09-05 EP claimed
WO-2006071645-A2 COMPOSITIONS AND METHODS FOR ANTI-TRANSPIRATION IN PLANTS NONOMURA ARTHUR M (US) 2006-07-06 WO claimed
US-20060142158-A1 Compositions and methods for anti-transpiration in plants INNOVATION HAMMER, LLC 2006-06-29 US claimed