SCHEMBL29957233

SCHEMBL29957233

CC(C)[C@H](NC(=O)OC(C)(C)C)c1ncc(C=O)o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.48
HSD17B10 Q99714 3/20 0.44
MAPK1 P28482 2/20 0.43
MAPT P10636 2/20 0.43
MITF O75030 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TSHR P16473 6/20 0.42
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 2/20 0.42
PPARG P37231 1/20 0.42
NCOA2 Q15596 1/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
MEN1 O00255 1/20 0.42
TRPA1 O75762 1/20 0.40
ABCB1 P08183 1/20 0.38
CTSK P43235 3/20 0.37
CA1 P00915 1/20 0.37

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
SCHEMBL29951363 1.00 LMNA (0.48) LMNAHSD17B10MAPK1MAPTMITF
SCHEMBL29952419 0.88 LMNA (0.51) LMNAHSD17B10MAPK1HPGDHTT
SCHEMBL29952820 0.88 LMNA (0.51) LMNAHSD17B10MAPK1HPGDHTT
SCHEMBL29957231 0.87 KMT2A (0.51) LMNAHSD17B10MAPTTSHRALDH1A1
SCHEMBL29957881 0.87 KMT2A (0.51) LMNAHSD17B10MAPTTSHRALDH1A1
SCHEMBL29957138 0.80 CTSK (0.44) LMNAHSD17B10MAPTHPGDHTT
SCHEMBL29954883 0.80 CTSK (0.44) LMNAHSD17B10MAPTHPGDHTT
SCHEMBL16492746 0.79 KMT2A (0.37) LMNAHSD17B10MAPTHPGDHTT
SCHEMBL10072664 0.75 LMNA (0.46) LMNAHSD17B10MAPK1MAPTMITF
SCHEMBL12491373 0.73 ATR (0.39) LMNAHSD17B10HTTTSHRALDH1A1

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