SCHEMBL28811654

SCHEMBL28811654

CC(Br)c1ccc(C=O)o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
ALDH1A1 P00352 11/20 0.41
POLB P06746 6/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
HTT P42858 1/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 7/20 0.37
LMNA P02545 3/20 0.37
TDP1 Q9NUW8 2/20 0.34
CYP2E1 P05181 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2B6 P20813 1/20 0.33
CYP2C19 P33261 1/20 0.33
HPGD P15428 1/20 0.33
CYP2A6 P11509 2/20 0.32
NPC1 O15118 1/20 0.32
HSP90AA1 P07900 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
SCHEMBL10147239 0.82 GAA (0.48) GAAALDH1A1POLBSMN1; SMN2L3MBTL1
SCHEMBL5596655 0.78 ALDH1A1 (0.45) GAAALDH1A1POLBSMN1; SMN2L3MBTL1
SCHEMBL4732744 0.73 ALDH1A1 (0.48) GAAALDH1A1POLBSMN1; SMN2L3MBTL1
SCHEMBL6495189 0.73 ALDH1A1 (0.43) GAAALDH1A1POLBSMN1; SMN2L3MBTL1
SCHEMBL9223127 0.73 ALDH1A1 (0.44) GAAALDH1A1POLBSMN1; SMN2L3MBTL1
SCHEMBL51391 0.72
SCHEMBL30643174 0.72 ALDH1A1 (0.44) GAAALDH1A1POLBSMN1; SMN2L3MBTL1
SCHEMBL28926953 0.71 ALDH1A1 (0.47) GAAALDH1A1POLBSMN1; SMN2L3MBTL1
SCHEMBL22289406 0.71 ALDH1A1 (0.43) GAAALDH1A1POLBSMN1; SMN2L3MBTL1
SCHEMBL28556905 0.70 ALDH1A1 (0.54) GAAALDH1A1POLBSMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104955817-A Process for producing 5- (halomethyl) furfural MICROMIDAS INC 2015-09-30 CN claimed
CN-105189471-A Purification method of 5- (halogenated methyl) furfural MICROMIDAS INC 2015-12-23 CN disclosed
CN-104955817-A Process for producing 5- (halomethyl) furfural MICROMIDAS INC 2015-09-30 CN disclosed
CN-103930411-A Conversion of biomass to produce substituted furans using a multiphase reactor MICROMIDAS INC 2014-07-16 CN disclosed