SCHEMBL28274159

SCHEMBL28274159

O=C(COc1ccccc1)OBr

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.63
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
ALPL P05186 1/20 0.50
ALPI P09923 1/20 0.50
ALPG P10696 1/20 0.50
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
GAA P10253 1/20 0.47
FFAR1 O14842 1/20 0.47
ALDH1A1 P00352 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
SCHEMBL264346 0.83 ALOX15 (0.68) ALOX15KMT2AMEN1ALPLALPI
SCHEMBL28775761 0.82 ALOX15 (0.61) ALOX15KMT2AMEN1ALPLALPI
SCHEMBL28325138 0.81 ALOX15 (0.65) ALOX15KMT2AMEN1ALPLALPI
SCHEMBL472034 0.81 ALOX15 (0.65) ALOX15KMT2AMEN1ALPLALPI
SCHEMBL25306638 0.79 ALOX15 (0.63) ALOX15KMT2AMEN1ALPLALPI
SCHEMBL7158598 0.79 ALOX15 (0.63) ALOX15KMT2AMEN1ALPLALPI
SCHEMBL4587997 0.79 ALOX15 (0.63) ALOX15KMT2AMEN1ALPLALPI
SCHEMBL5573061 0.79 ALOX15 (0.63) ALOX15KMT2AMEN1ALPLALPI
SCHEMBL544051 0.79 ALOX15 (0.63) ALOX15KMT2AMEN1ALPLALPI
Benzene SCHEMBL28258789 0.79 ALOX15 (0.63) ALOX15KMT2AMEN1ALPLALPI

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-109212079-A Four kinds of traces are to the gas chromatography-mass spectrometry of halobenzene fluoroacetic acid class plant growth regulator in a kind of measurement tomato 丁立平 2019-01-15 CN claimed
CN-109212079-A Four kinds of traces are to the gas chromatography-mass spectrometry of halobenzene fluoroacetic acid class plant growth regulator in a kind of measurement tomato 丁立平 2019-01-15 CN disclosed