SCHEMBL28638484

SCHEMBL28638484

O=C(O)[C@H](Br)C[C@H](Br)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
TSHR P16473 3/20 0.61
THRB P10828 1/20 0.50
RECQL P46063 1/20 0.50
CYP2C19 P33261 1/20 0.47
LCK P06239 1/20 0.44
PPARD Q03181 1/20 0.44
ZDHHC20 Q5W0Z9 1/20 0.44
ZDHHC2 Q9UIJ5 1/20 0.44
RNPEP Q9H4A4 1/20 0.33
OR51E2 Q9H255 1/20 0.33
SLC7A5 Q01650 1/20 0.33
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ENPEP Q07075 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
SCHEMBL8308905 1.00 ALDH1A1 (0.61) ALDH1A1TSHRTHRBRECQLCYP2C19
SCHEMBL9352399 0.84 ALDH1A1 (0.46) ALDH1A1TSHRTHRBRECQLCYP2C19
SCHEMBL489803 0.82
SCHEMBL489804 0.82
SCHEMBL9869901 0.82
SCHEMBL8370155 0.82
SCHEMBL2637647 0.82
SCHEMBL27575981 0.80 ZDHHC7 (0.47) ALDH1A1TSHRTHRBRECQLCYP2C19
SCHEMBL310533 0.80
Hydrochloric Acid SCHEMBL18580855 0.80 RNPEP (0.48) ALDH1A1TSHRTHRBRECQLCYP2C19

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-113603683-A Substituted phenyl oxazolidinones for antimicrobial therapy 结核病药物开发全球联盟公司 2021-11-05 CN disclosed
CN-108348507-B Substituted phenyl oxazolidinones for antimicrobial therapy 结核病药物开发全球联盟公司 2021-10-08 CN disclosed