SCHEMBL28172811

SCHEMBL28172811

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.53
MAPT P10636 2/20 0.53
HMGB1 P09429 1/20 0.46
CXCL12 P48061 1/20 0.46
HSD17B10 Q99714 3/20 0.44
HPGD P15428 3/20 0.41
PKM P14618 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 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
SCHEMBL14124075 0.87 MAPT (0.47) TDP1MAPTHMGB1CXCL12HSD17B10
SCHEMBL29115294 0.85 HSD17B10 (0.49) TDP1MAPTHMGB1CXCL12HSD17B10
SCHEMBL1434189 0.84 HSD17B10 (0.52) TDP1MAPTHSD17B10HPGDPKM
SCHEMBL31012417 0.82 HSD17B10 (0.46) TDP1MAPTHSD17B10HPGDPKM
SCHEMBL15573104 0.82 HSD17B10 (0.46) TDP1MAPTHSD17B10HPGDPKM
SCHEMBL7228025 0.81 MAPT (0.62) TDP1MAPTHSD17B10HPGDPKM
Water SCHEMBL9576667 0.79 MAPT (0.61) TDP1MAPTHSD17B10HPGDPKM
SCHEMBL10956453 0.79 KDM4E (0.52) TDP1MAPTHSD17B10HPGDPKM
SCHEMBL18677528 0.78 TDP1 (0.55) TDP1MAPTHSD17B10HPGDPKM
SCHEMBL7089136 0.78 HSD17B10 (0.46) TDP1MAPTHSD17B10HPGDPKM

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-107213188-A Dalbergia wood powder Chinese medicine is taken after being infused in hot water or decoction medicine materical crude slice 江苏苏轩堂药业有限公司 2017-09-29 CN disclosed