SCHEMBL29953794

SCHEMBL29953794

CC(=O)Nc1ccc(C)c(C=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA9 Q16790 2/20 0.49
HSD17B10 Q99714 1/20 0.49
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
KDM4E B2RXH2 3/20 0.47
MAPT P10636 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
PABPC1 P11940 1/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LDHA P00338 1/20 0.46
GLA P06280 1/20 0.46
TNNI3 P19429 1/20 0.46
TNNT2 P45379 1/20 0.46

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
SCHEMBL10061909 1.00 ALDH1A1 (0.50) ALDH1A1TDP1SMN1; SMN2CA12CA1
SCHEMBL29958034 0.86 ALDH1A1 (0.54) ALDH1A1TDP1SMN1; SMN2CA12CA1
SCHEMBL377917 0.86 ALDH1A1 (0.54) ALDH1A1TDP1SMN1; SMN2CA12CA1
SCHEMBL974694 0.82 PKM (0.51) ALDH1A1TDP1SMN1; SMN2CA12CA1
SCHEMBL6558620 0.81 RORC (0.49) ALDH1A1TDP1SMN1; SMN2KMT2AMEN1
SCHEMBL12511362 0.81 ALDH1A1 (0.50) ALDH1A1TDP1SMN1; SMN2CA12CA1
SCHEMBL7055271 0.81 MEN1 (0.50) ALDH1A1TDP1SMN1; SMN2CA12CA1
SCHEMBL29990241 0.79 POLB (0.68) ALDH1A1TDP1SMN1; SMN2CA12CA1
SCHEMBL2336203 0.79 POLB (0.68) ALDH1A1TDP1SMN1; SMN2CA12CA1
SCHEMBL1527112 0.79 PKM (0.56) ALDH1A1TDP1SMN1; SMN2CA12CA1

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