SCHEMBL28868005

SCHEMBL28868005

COc1ccc(C(=O)ON2CCCCC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.58
ALDH1A1 P00352 6/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
MAPT P10636 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
HTT P42858 2/20 0.54
ALOX15 P16050 1/20 0.54
POLB P06746 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.51
ALOX5 P09917 1/20 0.51
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48

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
SCHEMBL28988328 0.88 ALDH1A1 (0.48) HPGDALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL8992905 0.81 KMT2A (0.55) HPGDALDH1A1CA1CA2MAPT
SCHEMBL12993944 0.81 KMT2A (0.50) ALDH1A1SMN1; SMN2HTTMEN1KMT2A
SCHEMBL5874597 0.79 LMNA (0.44) HPGDALDH1A1CA1CA2MAPT
SCHEMBL1249246 0.79 HPGD (0.53) HPGDALDH1A1MAPTL3MBTL1SMN1; SMN2
SCHEMBL28495717 0.79 HPGD (0.53) HPGDALDH1A1MAPTL3MBTL1SMN1; SMN2
SCHEMBL29098438 0.77 HPGD (0.52) HPGDALDH1A1MAPTL3MBTL1SMN1; SMN2
SCHEMBL2510973 0.77 KMT2A (0.50) HPGDALDH1A1MAPTL3MBTL1SMN1; SMN2
SCHEMBL2535536 0.76 HPGD (0.96) HPGDALDH1A1CA1CA2MAPT
Hydrochloric Acid SCHEMBL5213430 0.75 HPGD (0.93) HPGDALDH1A1CA1CA2MAPT

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-109136210-A AHAS mutant 巴斯福植物科学有限公司 2019-01-04 CN disclosed