SCHEMBL29956399

SCHEMBL29956399

CCn1c(C)c(C(C)=O)cc(C(=O)O)c1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.61
SRC P12931 2/20 0.44
ALDH1A1 P00352 6/20 0.40
MAPT P10636 1/20 0.40
NOTUM Q6P988 2/20 0.40
KDM4E B2RXH2 2/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KMT2A Q03164 3/20 0.38
GPR35 Q9HC97 1/20 0.37
MAPK1 P28482 2/20 0.37
MEN1 O00255 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 2/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL29957319 0.87 L3MBTL1 (0.48) L3MBTL1SRCALDH1A1MAPTNOTUM
SCHEMBL216142 0.83 L3MBTL1 (0.45) L3MBTL1SRCNOTUMKDM4EGAA
SCHEMBL15329909 0.77 ALDH1A1 (0.45) L3MBTL1ALDH1A1MAPTNOTUMKDM4E
SCHEMBL10730512 0.72 L3MBTL1 (0.42) L3MBTL1SRCALDH1A1MAPTKDM4E
SCHEMBL11231545 0.72 MEN1 (0.46) L3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL28731504 0.71 L3MBTL1 (0.51) L3MBTL1SRCALDH1A1MAPTGAA
SCHEMBL19377726 0.71 NOTUM (0.59) ALDH1A1MAPTNOTUMKDM4EHPGD
SCHEMBL16627568 0.69 CA12 (0.51) L3MBTL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL23147562 0.68 NOTUM (0.62) L3MBTL1ALDH1A1NOTUMKDM4EHPGD
SCHEMBL215944 0.68 CNR2 (0.63) L3MBTL1ALDH1A1KDM4EGAAHPGD

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