SCHEMBL4820546

SCHEMBL4820546

COc1ccccc1-c1cc(C(=O)NOC(C)=O)n[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 10/20 0.54
ALDH1A1 P00352 9/20 0.45
KDM4E B2RXH2 9/20 0.45
ALOX15 P16050 1/20 0.44
HPGD P15428 7/20 0.44
RAB9A P51151 4/20 0.44
NPC1 O15118 2/20 0.44
NPSR1 Q6W5P4 5/20 0.43
CHRNA3 P32297 1/20 0.42
POLB P06746 1/20 0.42
RECQL P46063 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 8/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL13779277 0.86 HSD17B10 (0.58) HSD17B10ALDH1A1KDM4EALOX15HPGD
SCHEMBL3477614 0.85 ALOX15 (0.45) HSD17B10ALDH1A1KDM4EALOX15HPGD
SCHEMBL29930704 0.82 HSD17B10 (0.62) HSD17B10ALDH1A1KDM4EALOX15HPGD
SCHEMBL23611759 0.82 HSD17B10 (0.62) HSD17B10ALDH1A1KDM4EALOX15HPGD
SCHEMBL1528145 0.81 KMT2A (0.55) HSD17B10ALDH1A1KDM4EALOX15HPGD
SCHEMBL71938 0.80 HSD17B10 (0.60) HSD17B10ALDH1A1KDM4EALOX15HPGD
SCHEMBL29930951 0.80 HSD17B10 (0.60) HSD17B10ALDH1A1KDM4EALOX15HPGD
SCHEMBL70294 0.80 HPGD (0.56) HSD17B10ALDH1A1KDM4EHPGDRAB9A
SCHEMBL1528729 0.78 GRM4 (0.58) HSD17B10ALDH1A1KDM4EHPGDRAB9A
SCHEMBL1528353 0.75 KMT2A (0.57) HSD17B10ALDH1A1KDM4EALOX15HPGD

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
WO-2008157844-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-12-24 WO disclosed