SCHEMBL29952174

SCHEMBL29952174

CC(=O)c1c(C)c[nH]c1C=O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.44
CYP3A4 P08684 3/20 0.35
CYP1A2 P05177 1/20 0.35
BRPF1 P55201 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.32
ALDH1A1 P00352 2/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 2/20 0.31
POLB P06746 1/20 0.31
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
THRB P10828 1/20 0.30
MEN1 O00255 1/20 0.30
HPGD P15428 1/20 0.30
MAPT P10636 1/20 0.30
TRIM24 O15164 1/20 0.30
TRIM33 Q9UPN9 1/20 0.30

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
SCHEMBL23123343 0.77 ALDH1A1 (0.54) CYP3A4SMN1; SMN2ALDH1A1RAB9AKMT2A
SCHEMBL891077 0.74 NOTUM (0.68) NOTUMCYP3A4CYP1A2BRPF1SMN1; SMN2
SCHEMBL14023416 0.72 NOTUM (0.48) NOTUMCYP3A4CYP1A2BRPF1SMN1; SMN2
SCHEMBL29951594 0.72 BRPF1 (0.40) CYP3A4CYP1A2BRPF1SMN1; SMN2HSD17B10
SCHEMBL2673489 0.72
SCHEMBL29956998 0.69 NOTUM (0.55) NOTUMCYP3A4CYP1A2BRPF1SMN1; SMN2
SCHEMBL29952846 0.68 NOTUM (0.44) NOTUMCYP3A4CYP1A2BRPF1SMN1; SMN2
SCHEMBL11307800 0.67 CYP1A2 (0.57) CYP3A4CYP1A2BRPF1SMN1; SMN2HSD17B10
SCHEMBL7821237 0.66 PDGFRB (0.53) NOTUMHSD17B10RAB9A
SCHEMBL9539293 0.65 IGF1R (0.32) TRIM24TRIM33

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