SCHEMBL28614948

SCHEMBL28614948

Cc1ccc(NCC(O)CCl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.50
ALDH1A1 P00352 4/20 0.50
GAA P10253 4/20 0.43
POLB P06746 3/20 0.43
MEN1 O00255 2/20 0.43
HPGD P15428 2/20 0.43
MAPK1 P28482 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
THRB P10828 1/20 0.43
ALOX15 P16050 1/20 0.43
CASP1 P29466 1/20 0.43
BLM P54132 1/20 0.43
PLEC Q15149 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
HTT P42858 3/20 0.41

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
SCHEMBL26929021 0.84 MAPT (0.50) MAPTALDH1A1GAAPOLBMEN1
SCHEMBL11427950 0.82 BCHE (0.48) MAPTALDH1A1GAAMEN1HPGD
SCHEMBL33609 0.81 MAPT (0.56) MAPTALDH1A1GAAPOLBMEN1
Hydrochloric Acid SCHEMBL29018535 0.79 MAPT (0.54) MAPTALDH1A1GAAPOLBMEN1
SCHEMBL22622594 0.79 MAPT (0.54) MAPTALDH1A1GAAPOLBMEN1
SCHEMBL5713045 0.79 MAPT (0.54) MAPTALDH1A1GAAPOLBMEN1
SCHEMBL8369004 0.79 MAPT (0.61) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL411945 0.79 MAPT (0.61) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL28618905 0.78 MAPT (0.56) MAPTGAAPOLBHPGDHSD17B10
Water SCHEMBL7968667 0.78 MAPT (0.52) MAPTALDH1A1GAAPOLBMEN1

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-109762853-B Method for synthesizing isopropanol beta-alkamine derivative on line by lipase catalysis 浙江工业大学 2021-07-27 CN disclosed