SCHEMBL17810286

SCHEMBL17810286

CCC(CC(CC(C)C(=O)NO)C(N)=O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 4/20 0.46
SLC1A2 P43004 4/20 0.46
SLC1A1 P43005 3/20 0.46
CA2 P00918 4/20 0.40
CA1 P00915 3/20 0.40
HDAC7 Q8WUI4 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
ECE1 P42892 1/20 0.36
MAPK1 P28482 1/20 0.35
TSHR P16473 2/20 0.35
USP2 O75604 1/20 0.33
BIRC2 Q13490 1/20 0.33
GRIK1 P39086 1/20 0.33
GRIK2 Q13002 1/20 0.33
GCLC P48506 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
SCHEMBL12049834 0.80 SLC1A3 (0.57) SLC1A3SLC1A2SLC1A1CA2CA1
SCHEMBL13988249 0.79 SLC1A2 (0.52) SLC1A3SLC1A2SLC1A1CA2CA1
SCHEMBL14617633 0.78 SLC1A3 (0.45) SLC1A3SLC1A2SLC1A1CA2CA1
SCHEMBL27041452 0.78 SLC1A2 (0.64) SLC1A3SLC1A2SLC1A1CA2CA1
SCHEMBL12876480 0.77 SLC1A3 (0.40) SLC1A3SLC1A2SLC1A1CA2CA1
SCHEMBL1105036 0.76 SLC1A3 (0.47) SLC1A3SLC1A2SLC1A1CA2CA1
SCHEMBL12442311 0.76 SLC1A3 (0.47) SLC1A3SLC1A2SLC1A1CA2CA1
SCHEMBL12197659 0.75 CA1 (0.47) SLC1A3SLC1A2SLC1A1CA2CA1
SCHEMBL14552038 0.75 SLC1A3 (0.47) SLC1A3SLC1A2SLC1A1CA2MAPK1
SCHEMBL14617630 0.74 CA2 (0.48) SLC1A3SLC1A2SLC1A1CA2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160159660-A1 SILICON CONTAINING POLYMER FLOCCULANTS CYTEC INDUSTRIES INC. (US) 2016-06-09 US disclosed
US-20160159660-A1 SILICON CONTAINING POLYMER FLOCCULANTS CYTEC INDUSTRIES INC. (US) 2016-06-09 US disclosed