SCHEMBL29419306

SCHEMBL29419306

O=C(O)CCOc1ccc(Br)cc1Br

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 1/20 0.55
PTGDR2 Q9Y5Y4 5/20 0.50
PKM P14618 1/20 0.49
LMNA P02545 3/20 0.48
TDP1 Q9NUW8 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPK1 P28482 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
POLB P06746 1/20 0.47
TSHR P16473 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
CYSLTR2 Q9NS75 1/20 0.46
CYSLTR1 Q9Y271 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL511290 1.00 HTR1B (0.55) HTR1BPTGDR2PKMLMNATDP1
SCHEMBL28554000 0.89 CYSLTR2 (0.52) HTR1BPTGDR2PKMLMNATDP1
SCHEMBL11297326 0.86 LMNA (0.47) HTR1BPTGDR2LMNATDP1L3MBTL1
SCHEMBL7524447 0.84 HTR1B (0.53) HTR1BPTGDR2LMNATDP1L3MBTL1
SCHEMBL10746769 0.83 KDM4E (0.60) LMNATDP1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL29457684 0.83 KDM4E (0.60) LMNATDP1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL10714247 0.83 PTGDR2 (0.48) PTGDR2PKMLMNATDP1L3MBTL1
SCHEMBL25586358 0.83 PTGDR2 (0.48) PTGDR2LMNATDP1L3MBTL1ALDH1A1
SCHEMBL1615073 0.82 PKM (0.70) PTGDR2PKMLMNATDP1L3MBTL1
SCHEMBL10747497 0.82 LMNA (0.64) PTGDR2LMNAL3MBTL1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107532075-B Oil and gas treatment compositions comprising hydroxyethyl cellulose and crosslinked polyvinylpyrrolidone 赫尔克里士有限公司 2022-03-08 CN disclosed