SCHEMBL29115294

SCHEMBL29115294

COc1c(C(=O)O)cc(C)c(O)c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.49
TDP1 Q9NUW8 3/20 0.49
MAPT P10636 2/20 0.49
HMGB1 P09429 1/20 0.46
CXCL12 P48061 1/20 0.46
HPGD P15428 4/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
PKM P14618 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 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
SCHEMBL28172811 0.85 TDP1 (0.53) HSD17B10TDP1MAPTHMGB1CXCL12
SCHEMBL1434189 0.84 HSD17B10 (0.52) HSD17B10TDP1MAPTHPGDKDM4E
SCHEMBL14124075 0.79 MAPT (0.47) HSD17B10TDP1MAPTHMGB1CXCL12
Acetic Acid SCHEMBL31294534 0.77 TDP1 (0.48) HSD17B10TDP1MAPTKDM4EPKM
SCHEMBL27481246 0.77 HSD17B10 (0.49) HSD17B10TDP1MAPTHPGDKDM4E
SCHEMBL28841565 0.77 TDP1 (0.58) HSD17B10TDP1MAPTHMGB1CXCL12
SCHEMBL27731624 0.76 HSD17B10 (0.52) HSD17B10TDP1MAPTHPGDKDM4E
SCHEMBL27484085 0.76 HSD17B10 (0.56) HSD17B10TDP1MAPTHPGDKDM4E
SCHEMBL5001513 0.76 HSD17B10 (0.47) HSD17B10TDP1MAPTHPGDKDM4E
SCHEMBL27711069 0.75 HSD17B10 (0.55) HSD17B10TDP1MAPTHPGDKDM4E

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
CN-115703697-A Novel organic alkoxide agglomerate and preparation method and application thereof 上海科技大学 2023-02-17 CN disclosed