SCHEMBL27645892

SCHEMBL27645892

CC(=O)C(CCCBr)C(C)=O.CC(=O)CC(C)=O

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.36
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 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
SCHEMBL10576561 0.91 TRPA1 (0.36) TRPA1
SCHEMBL11615148 0.82 LCK (0.34) TRPA1
SCHEMBL10565850 0.73 GPR84 (0.37)
SCHEMBL27667016 0.73 MGAM (0.33) MGAMGAASIMGAM2
SCHEMBL7634831 0.72 ZDHHC7 (0.44)
SCHEMBL5547919 0.71 ALDH1A1 (0.44) TRPA1
SCHEMBL27908653 0.71 ZDHHC7 (0.42) TRPA1
SCHEMBL27889470 0.71 ALDH1A1 (0.39)
SCHEMBL13703468 0.69 CAMK2A (0.33)
SCHEMBL27781814 0.69 ALDH1A1 (0.40) TRPA1MGAMGAASIMGAM2

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
CN-100457268-C Catalyst of acetylacetone metal supported and carried by ion liquid, and preparation method UNIV ZHEJIANG (CN) 2009-02-04 CN disclosed
CN-1915519-A Catalyst of acetylacetone metal supported and carried by ion liquid, and preparation method UNIV ZHEJIANG (CN) 2007-02-21 CN disclosed