SCHEMBL20249092

SCHEMBL20249092

CC(C)(CCOC(C)(C)CCCNC(=O)COc1ccccc1C=O)CNC(=O)COc1ccccc1C=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.43
HSD17B10 Q99714 1/20 0.42
NPC1 O15118 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TSHR P16473 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.39
KDM4E B2RXH2 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 1/20 0.38
RECQL P46063 1/20 0.37
MEN1 O00255 2/20 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
SCHEMBL20249094 0.82 PTGDR2 (0.51) PTGDR2HSD17B10NPC1NFKB1RAB9A
SCHEMBL2562334 0.78 HPGD (0.57) PTGDR2HSD17B10NPC1NFKB1RAB9A
SCHEMBL29950848 0.78 KMT2A (0.62) PTGDR2HSD17B10NPC1NFKB1RAB9A
SCHEMBL22588977 0.77 PTGDR2 (0.55) PTGDR2HSD17B10NPC1NFKB1RAB9A
SCHEMBL2552236 0.75 HPGD (0.67) PTGDR2HSD17B10NPC1NFKB1RAB9A
SCHEMBL22602534 0.75 TSHR (0.48) PTGDR2HSD17B10NPC1NFKB1RAB9A
SCHEMBL15332808 0.75 PTGDR2 (0.59) PTGDR2HSD17B10NPC1NFKB1RAB9A
SCHEMBL22602544 0.74 TSHR (0.47) PTGDR2HSD17B10NPC1NFKB1RAB9A
SCHEMBL29410428 0.74 TSHR (0.47) PTGDR2HSD17B10NPC1NFKB1RAB9A
SCHEMBL2553005 0.74 KDM4E (0.61) PTGDR2HSD17B10NPC1NFKB1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020217250-A2 METHOD FOR METAL-FREE PURIFICATION OF PROTEIN FROM A PROTEIN MIXTURE OR A CELL LYSATE WITH THE N-TERMINUS GLYCINE TAGGING Indian Institute Of Science Education And Research Bhopal (IN) 2020-10-29 WO disclosed
WO-2018104962-A1 HEMIAMINAL-TAG FOR PROTEIN LABELING AND PURIFICATION Indian Institute Of Science Education And Research Bhopal (IN) 2018-06-14 WO disclosed