SCHEMBL29951487

SCHEMBL29951487

CC(=O)c1ccc(NC(=O)N(C)CC(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
RAB9A P51151 5/20 0.51
NPC1 O15118 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
TAAR1 Q96RJ0 1/20 0.51
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
MCL1 Q07820 1/20 0.49
NOX1 Q9Y5S8 1/20 0.49
HTT P42858 2/20 0.46
NLRP1 Q9C000 1/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL29953704 0.86 MAPT (0.53) MAPTRAB9ANPC1SMN1; SMN2TAAR1
SCHEMBL29955344 0.83 KMT2A (0.56) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL11270620 0.83 MTOR (0.59) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL11279243 0.82 MEN1 (0.47) MAPTRAB9ANPC1ALDH1A1MEN1
SCHEMBL29950920 0.81 RAB9A (0.55) MAPTRAB9ANPC1SMN1; SMN2TAAR1
SCHEMBL2562508 0.79 LMNA (0.65) MAPTRAB9ANPC1SMN1; SMN2TAAR1
SCHEMBL11284371 0.75 APEX1 (0.67) MAPTRAB9ANPC1ALDH1A1MEN1
SCHEMBL2556599 0.74 MAPT (0.62) MAPTRAB9ANPC1SMN1; SMN2TAAR1
SCHEMBL11171828 0.73 MAPT (0.50) MAPTRAB9ANPC1SMN1; SMN2TAAR1
SCHEMBL3825140 0.73 MAPT (0.68) MAPTRAB9ANPC1SMN1; SMN2TAAR1

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed