SCHEMBL28674149

SCHEMBL28674149

O=C(O)C(CC(Br)Br)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
THRB P10828 1/20 0.47
RECQL P46063 1/20 0.47
CYP2C19 P33261 1/20 0.44
TSHR P16473 3/20 0.43
ENPEP Q07075 1/20 0.42
LCK P06239 1/20 0.32
PPARD Q03181 1/20 0.32
ZDHHC20 Q5W0Z9 1/20 0.32
ZDHHC2 Q9UIJ5 1/20 0.32
RNPEP Q9H4A4 1/20 0.32
SLC7A5 Q01650 1/20 0.32
OR51E2 Q9H255 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 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
SCHEMBL786927 0.78 ENPEP (0.50) ALDH1A1THRBRECQLCYP2C19TSHR
SCHEMBL7525494 0.75
SCHEMBL28638484 0.69 ALDH1A1 (0.61) ALDH1A1THRBRECQLCYP2C19TSHR
SCHEMBL8308905 0.69 ALDH1A1 (0.61) ALDH1A1THRBRECQLCYP2C19TSHR
SCHEMBL4565598 0.69 ENPEP (0.43) ALDH1A1THRBRECQLTSHRENPEP
SCHEMBL30019003 0.67 TP53 (0.44) ALDH1A1ENPEPRNPEPSLC7A5
SCHEMBL27404117 0.67 ENPEP (0.70) ALDH1A1ENPEPSLC7A5
SCHEMBL1200181 0.67 RNPEP (0.57) ALDH1A1RNPEPSLC7A5LMNA
Dibromoacetic Acid SCHEMBL1330871 0.65
Dibromoacetic Acid SCHEMBL137199 0.65

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-113773756-A Antibacterial children odor-free wall paint and preparation method thereof 安徽庆丰涂料科技有限公司 2021-12-10 CN claimed
CN-113773756-A Antibacterial children odor-free wall paint and preparation method thereof 安徽庆丰涂料科技有限公司 2021-12-10 CN disclosed