SCHEMBL8376188

SCHEMBL8376188

CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](Oc3cccc(O)c3C(C)=O)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ P4HB P07237 1/20 0.57
▸ PDIA4 P13667 1/20 0.57
▸ PDIA3 P30101 1/20 0.57
▸ SLC28A3 Q9HAS3 2/20 0.53
▸ PRKCA P17252 1/20 0.51
▸ AKT1 P31749 1/20 0.51
▸ PTK2 Q05397 1/20 0.51
▸ CA12 O43570 10/20 0.50
▸ CA1 P00915 10/20 0.50
▸ CA2 P00918 10/20 0.50
▸ CA9 Q16790 10/20 0.50
▸ CA14 Q9ULX7 4/20 0.49
▸ CA4 P22748 2/20 0.49
▸ CA6 P23280 2/20 0.49
▸ CA5A P35218 2/20 0.49
▸ CA7 P43166 2/20 0.49
▸ CA13 Q8N1Q1 2/20 0.49
▸ CA5B Q9Y2D0 2/20 0.49
▸ TSHR P16473 1/20 0.49

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
SCHEMBL8376183 1.00 P4HB (0.57) P4HBPDIA4PDIA3SLC28A3PRKCA
SCHEMBL8654501 0.96 P4HB (0.61) P4HBPDIA4PDIA3SLC28A3CA12
SCHEMBL1726710 0.96 P4HB (0.61) P4HBPDIA4PDIA3SLC28A3CA12
SCHEMBL12651652 0.92 P4HB (0.59) P4HBPDIA4PDIA3PRKCAAKT1
SCHEMBL12651802 0.92 P4HB (0.59) P4HBPDIA4PDIA3PRKCAAKT1
SCHEMBL12651491 0.87 P4HB (0.63) P4HBPDIA4PDIA3CA12CA1
SCHEMBL12651482 0.87 P4HB (0.63) P4HBPDIA4PDIA3CA12CA1
SCHEMBL8108900 0.87 TSHR (0.54) P4HBPDIA4PDIA3PRKCAAKT1
SCHEMBL20633976 0.86 P4HB (0.61) P4HBPDIA4PDIA3CA12CA1
SCHEMBL13324379 0.85 P4HB (0.59) P4HBPDIA4PDIA3CA12CA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0684254-B1 Propiophenone derivative and a process for preparing the same TANABE SEIYAKU CO (JP) 1999-03-24 — — EP disclosed
EP-0684254-A1 Propiophenone derivative and a process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1995-11-29 — — EP disclosed
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