SCHEMBL29950706

SCHEMBL29950706

CC(=O)c1cc(C(=O)NC(C)CC(=O)O)n(C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.38
ITGA2B P08514 3/20 0.38
HDAC8 Q9BY41 1/20 0.37
MAPT P10636 1/20 0.35
PKM P14618 2/20 0.35
USP4 Q13107 1/20 0.34
USP7 Q93009 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GCGR P47871 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
PHGDH O43175 2/20 0.32
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL15331363 0.81 HDAC8 (0.43) HDAC8MAPTPKMUSP4USP7
SCHEMBL15331955 0.78 CA2 (0.42) HDAC8PKMRXFP1MEN1KMT2A
SCHEMBL15332388 0.76 GRN (0.38) HDAC8PKMKDM4EALOX15NPSR1
SCHEMBL22808237 0.72 MAPT (0.50) MAPTPKMUSP4USP7KDM4E
SCHEMBL2361283 0.71 CYP2C9 (0.51) HDAC8PKMKDM4EMEN1KMT2A
SCHEMBL16404147 0.71 RAB9A (0.42) MAPTKDM4ESMN1; SMN2ALDH1A1RAB9A
SCHEMBL15332233 0.70 HDAC8 (0.39) HDAC8MAPTPKMUSP4USP7
SCHEMBL7670820 0.67 RAB9A (0.63) SMN1; SMN2ALDH1A1RAB9AMEN1HTT
SCHEMBL11063029 0.67 CYP1A2 (0.55) HDAC8PKMKDM4EMEN1KMT2A
SCHEMBL5206489 0.67 PKM (0.51) HDAC8PKMKDM4ESMN1; SMN2ALDH1A1

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