SCHEMBL5326517

SCHEMBL5326517

CCC(Br)C(=O)OC(C)(C)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ZDHHC7 Q9NXF8 1/20 0.32
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
MMP8 P22894 1/20 0.30

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
SCHEMBL217805 0.83 ZDHHC7 (0.34) ZDHHC7ALDH1A1KMT2ACA1CA2
SCHEMBL14682157 0.78 CA1 (0.32) CA1CA2MMP8
SCHEMBL9608673 0.72 ELANE (0.31)
SCHEMBL10552946 0.72 ZDHHC7 (0.39) ZDHHC7ALDH1A1KMT2ACA1CA2
SCHEMBL2199874 0.72 ZDHHC7 (0.39) ZDHHC7ALDH1A1KMT2ACA1CA2
SCHEMBL9681621 0.71 TSHR (0.40) ZDHHC7ALDH1A1KMT2A
SCHEMBL27972934 0.71 CA2 (0.61) ALDH1A1KMT2ACA1CA2
SCHEMBL1844645 0.70
SCHEMBL1732696 0.70
SCHEMBL189345 0.70

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
WO-2007147428-A1 COPOLYMER, MODIFIED POLYMER CARBOHYDRATE MATERIAL, MODIFIED BULK POLYMER, COMPOSITE MATERIAL, AND METHODS OF PREPARATION SWETREE TECHNOLOGIES AB (SE) 2007-12-27 WO disclosed
WO-2007149045-A1 COPOLYMER, MODIFIED POLYMER CARBOHYDRATE MATERIAL, MODIFIED BULD POLYMER, COMPOSITE MATERIAL, AND METHODS OF PREPARATION SWETREE TECHNOLOGIES AB (SE) 2007-12-27 WO disclosed