SCHEMBL28437577

SCHEMBL28437577

O=C(OC(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)c1ccccc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.44
LMNA P02545 3/20 0.44
TSHR P16473 2/20 0.44
HPGD P15428 6/20 0.41
HSD17B10 Q99714 3/20 0.41
ALOX15 P16050 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
ALDH1A1 P00352 8/20 0.39
KDM4E B2RXH2 7/20 0.39
GAA P10253 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
HMGB1 P09429 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 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
SCHEMBL28439957 1.00 TDP1 (0.44) TDP1LMNATSHRHPGDHSD17B10
SCHEMBL28438469 0.94 TDP1 (0.46) TDP1LMNATSHRHPGDHSD17B10
SCHEMBL28438465 0.91 TDP1 (0.40) TDP1LMNATSHRNPC1ALDH1A1
SCHEMBL28444458 0.91 TDP1 (0.40) TDP1LMNATSHRNPC1ALDH1A1
SCHEMBL27495814 0.85 ALDH1A1 (0.44) TDP1LMNATSHRALOX15ALDH1A1
SCHEMBL28446203 0.84 TSHR (0.41) TDP1LMNATSHRNPC1ALDH1A1
SCHEMBL5963748 0.83 TDP1 (0.43) TDP1LMNATSHRHPGDHSD17B10
Mannitol SCHEMBL21522526 0.82 LMNA (0.69) TDP1LMNATSHRHPGDHSD17B10
Mannitol SCHEMBL21522528 0.82 LMNA (0.69) TDP1LMNATSHRHPGDHSD17B10
SCHEMBL5012212 0.82 TDP1 (0.41) TDP1LMNATSHRHPGDHSD17B10

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-106631779-B Polyol esters and their use in processing halogenated vinyl polymers 济南金昌树新材料科技有限公司 2020-07-14 CN disclosed