SCHEMBL23629064

SCHEMBL23629064

COc1cc(B2OC(C)(C)C(C)(C)O2)cc(OC)c1CN(C)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 2/20 0.34
CSF1R P07333 1/20 0.34
HTT P42858 1/20 0.33
DGAT1 O75907 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HPGD P15428 2/20 0.32
GAA P10253 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
P4HB P07237 1/20 0.32
LPL P06858 1/20 0.32
TAS2R14 Q9NYV8 1/20 0.32
MAPT P10636 1/20 0.32
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CLK1 P49759 1/20 0.32
DYRK1A Q13627 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
SCHEMBL19747751 0.85 CD274 (0.43) LIPGCSF1RDGAT1P4HBLPL
SCHEMBL23575590 0.84 USP30 (0.38) CSF1RDGAT1HIF1ANR1I2
SCHEMBL19869980 0.83 BRD9 (0.38) LIPGCSF1RALDH1A1MEN1KMT2A
SCHEMBL19747728 0.77 AAK1 (0.37) CSF1RDGAT1NR1I2
SCHEMBL23575287 0.77 PTPN1 (0.44) LIPGCSF1RDGAT1ALDH1A1MEN1
SCHEMBL20562111 0.76 CA1 (0.44) LIPGCSF1RDGAT1HPGDP4HB
SCHEMBL23575186 0.75 CD274 (0.43) LIPGCSF1RDGAT1HIF1ANR1I2
SCHEMBL23121949 0.75 PDE3B (0.45) LIPGCSF1RDGAT1LPLHIF1A
SCHEMBL1684669 0.75 LIPG (0.53) LIPGP4HBLPLF2F11
SCHEMBL1400888 0.74 LIPG (0.36) LIPGDGAT1P4HBLPLF2

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
EP-3846800-A1 COMPOUNDS FOR THE DEGRADATION OF BRD9 OR MTH1 C4 Therapeutics, Inc. (US) 2021-07-14 EP disclosed