SCHEMBL29956830

SCHEMBL29956830

CC(=O)c1cccc(NC(=O)NCCC(=O)O)c1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.67
KMT2A Q03164 4/20 0.65
MEN1 O00255 2/20 0.65
GAA P10253 2/20 0.59
ALDH1A1 P00352 3/20 0.56
HTT P42858 2/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
TSHR P16473 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
CASR P41180 2/20 0.54
USP2 O75604 1/20 0.53
TP53 P04637 1/20 0.53
PKM P14618 1/20 0.53
MAPK1 P28482 1/20 0.53
MCL1 Q07820 1/20 0.53
NOX1 Q9Y5S8 1/20 0.53
HPGD P15428 1/20 0.52

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
SCHEMBL29953432 0.92 MAPT (0.64) MAPTKMT2AMEN1GAAALDH1A1
SCHEMBL25722908 0.85 MAPT (0.75) MAPTKMT2AMEN1GAAALDH1A1
SCHEMBL29952966 0.85 KMT2A (0.69) MAPTKMT2AMEN1GAAALDH1A1
SCHEMBL27480007 0.84 MAPT (0.68) MAPTKMT2AMEN1GAAALDH1A1
SCHEMBL9471665 0.84 KMT2A (0.65) MAPTKMT2AMEN1GAAALDH1A1
SCHEMBL29952991 0.83 MAPT (0.60) MAPTKMT2AMEN1GAAALDH1A1
SCHEMBL4966285 0.83 KMT2A (0.79) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL7518954 0.82 MAPT (0.67) MAPTKMT2AMEN1GAAALDH1A1
SCHEMBL13753678 0.81 KMT2A (0.68) MAPTKMT2AMEN1GAAALDH1A1
SCHEMBL15601832 0.81 MAPT (0.55) MAPTKMT2AMEN1GAAALDH1A1

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