SCHEMBL8795665

SCHEMBL8795665

CC(O)NCc1ccco1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.49
MAPT P10636 4/20 0.49
KMT2A Q03164 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
POLB P06746 2/20 0.49
HPGD P15428 2/20 0.49
MEN1 O00255 2/20 0.49
TP53 P04637 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
RAB9A P51151 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 2/20 0.46
GAA P10253 2/20 0.46
CHRM2 P08172 1/20 0.46
EPHX2 P34913 1/20 0.45

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
SCHEMBL105281 0.84 MAPT (0.51) ALDH1A1MAPTKMT2ASMN1; SMN2POLB
Hydrochloric Acid SCHEMBL4345251 0.82 MAPT (0.50) ALDH1A1MAPTKMT2ASMN1; SMN2POLB
SCHEMBL7635018 0.82 ALDH1A1 (0.55) ALDH1A1MAPTKMT2APOLBHPGD
SCHEMBL22571328 0.81 MAPT (0.49) ALDH1A1MAPTKMT2ASMN1; SMN2POLB
SCHEMBL1641491 0.81 MAPT (0.49) ALDH1A1MAPTKMT2ASMN1; SMN2POLB
SCHEMBL23877938 0.79 MAPT (0.47) ALDH1A1MAPTKMT2ASMN1; SMN2POLB
SCHEMBL1356510 0.79 ALDH1A1 (0.54) ALDH1A1MAPTKMT2ASMN1; SMN2POLB
SCHEMBL1356508 0.79 ALDH1A1 (0.54) ALDH1A1MAPTKMT2ASMN1; SMN2POLB
SCHEMBL17605281 0.79 USP2 (0.49) ALDH1A1MAPTKMT2ASMN1; SMN2POLB
SCHEMBL13995929 0.78 MAPT (0.46) ALDH1A1MAPTKMT2ASMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0648768-B1 Preparation of 3-dihaloacetyl oxazolidines MONSANTO CO (US) 1997-11-26 EP disclosed
US-5428172-A Preparation of 3-dihaloacetyl oxazolidines MONSANTO COMPANY (US) 1995-06-27 US disclosed
EP-0648768-A1 Preparation of 3-dihaloacetyl oxazolidines MONSANTO COMPANY (US) 1995-04-19 EP disclosed