SCHEMBL29953704

SCHEMBL29953704

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

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
ALDH1A1 P00352 3/20 0.53
SMN1; SMN2 Q16637 5/20 0.50
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
TAAR1 Q96RJ0 1/20 0.50
NPY5R Q15761 1/20 0.48
HTT P42858 2/20 0.48
HPGD P15428 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
MCL1 Q07820 1/20 0.48
NOX1 Q9Y5S8 1/20 0.48
NLRP1 Q9C000 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPK1 P28482 1/20 0.43

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
SCHEMBL29951487 0.86 MAPT (0.51) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL29950970 0.84 KMT2A (0.55) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL2561693 0.77 MAPT (0.68) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL21820774 0.76 ALDH1A1 (0.59) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL7566026 0.74 ALDH1A1 (0.66) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL27892102 0.74 MAPT (0.64) MAPTALDH1A1SMN1; SMN2NPC1MEN1
SCHEMBL29950920 0.74 RAB9A (0.55) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL21820792 0.74 ALDH1A1 (0.56) ALDH1A1RAB9ANPY5RPOLBGAA
SCHEMBL29952991 0.73 MAPT (0.60) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL2556599 0.73 MAPT (0.62) MAPTALDH1A1SMN1; SMN2NPC1RAB9A

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