SCHEMBL14733227

SCHEMBL14733227

COC(=O)CC1c2ccccc2OC1OC

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.42
TSHR P16473 1/20 0.41
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 2/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CACNA1G O43497 1/20 0.36
GAA P10253 2/20 0.36
USP2 O75604 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL14052443 0.79 IDO1 (0.38) EGFRTSHRALDH1A1
SCHEMBL14052444 0.79 IDO1 (0.38) EGFRTSHRALDH1A1
SCHEMBL27219661 0.75 POLB (0.39) EGFRTSHRALDH1A1POLBL3MBTL1
SCHEMBL407103 0.74 ALDH1A1 (0.51) EGFRTSHRALDH1A1SMN1; SMN2POLB
SCHEMBL16361323 0.74 ALDH1A1 (0.39) ALDH1A1POLBL3MBTL1MAPTGAA
SCHEMBL21979154 0.72 PPARG (0.49) EGFRALDH1A1POLBGAANPSR1
SCHEMBL8340999 0.70 MAOA (0.34) ALDH1A1CYP2D6HSD17B10KDM4E
SCHEMBL22992514 0.70 POLB (0.47) TSHRALDH1A1SMN1; SMN2POLBL3MBTL1
SCHEMBL22992503 0.70 POLB (0.47) TSHRALDH1A1SMN1; SMN2POLBL3MBTL1
SCHEMBL22877348 0.70 TSHR (0.39) EGFRTSHRALDH1A1SMN1; SMN2POLB

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-2013026391-A1 SYNTHESIS METHOD OF AZOXYSTROBIN AND EXCLUSIVE INTERMEDIATE IN THE SYNTHESIS THEREOF 重庆紫光化工股份有限公司 (CN) 2013-02-28 WO disclosed