SCHEMBL29954883

SCHEMBL29954883

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.44
LMNA P02545 5/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TSHR P16473 4/20 0.41
MAPT P10636 2/20 0.40
ALDH1A1 P00352 6/20 0.40
HSD17B10 Q99714 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CTSS P25774 3/20 0.38
CTSL P07711 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TP53 P04637 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
AGTR1 P30556 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL29957138 1.00 CTSK (0.44) CTSKLMNAMEN1KMT2ATSHR
SCHEMBL29957231 0.82 KMT2A (0.51) CTSKLMNAMEN1KMT2ATSHR
SCHEMBL29957881 0.82 KMT2A (0.51) CTSKLMNAMEN1KMT2ATSHR
SCHEMBL29952820 0.81 LMNA (0.51) CTSKLMNAMEN1KMT2ATSHR
SCHEMBL29952419 0.81 LMNA (0.51) CTSKLMNAMEN1KMT2ATSHR
SCHEMBL29957233 0.80 LMNA (0.48) CTSKLMNAMEN1KMT2ATSHR
SCHEMBL29951363 0.80 LMNA (0.48) CTSKLMNAMEN1KMT2ATSHR
SCHEMBL18878153 0.74 ALDH1A1 (0.43) CTSKLMNAMEN1KMT2ATSHR
SCHEMBL16492746 0.74 KMT2A (0.37) CTSKLMNAMEN1KMT2ATSHR
SCHEMBL12491373 0.71 ATR (0.39) LMNAKMT2ATSHRALDH1A1HSD17B10

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