SCHEMBL8378697

SCHEMBL8378697

CC(=O)OC[C@H]1O[C@@H](Oc2cccc(OC(C)=O)c2C(=O)CCc2ccc3c(c2)C(O)CC3)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.41
▸ CYP3A4 P08684 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ LMNA P02545 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ TP53 P04637 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ P4HB P07237 1/20 0.40
▸ PDIA4 P13667 1/20 0.40
▸ PDIA3 P30101 1/20 0.40
▸ TSHR P16473 1/20 0.37
▸ CA12 O43570 2/20 0.37
▸ CA1 P00915 2/20 0.37
▸ CA9 Q16790 2/20 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
SCHEMBL8377320 0.87 MEN1 (0.39) MEN1CYP3A4KMT2ALMNAUSP2
SCHEMBL8376166 0.77 P4HB (0.45) MEN1CYP3A4KMT2ATP53CYP2C9
SCHEMBL8376084 0.75 P4HB (0.45) MEN1CYP3A4KMT2ATP53CYP2C9
SCHEMBL13063347 0.73 MEN1 (0.56) MEN1CYP3A4KMT2ALMNAUSP2
SCHEMBL8377328 0.71 SLC5A1 (0.59) CYP3A4KDM4EMAPTHSD17B10CYP2C9
SCHEMBL10964418 0.70 MEN1 (0.52) MEN1CYP3A4KMT2ALMNAUSP2
SCHEMBL18272754 0.70 HSD17B10 (0.51) MEN1CYP3A4KMT2ALMNAUSP2
SCHEMBL1726710 0.69 P4HB (0.61) HSD17B10P4HBPDIA4PDIA3TSHR
SCHEMBL8654501 0.69 P4HB (0.61) HSD17B10P4HBPDIA4PDIA3TSHR
SCHEMBL12651491 0.69 P4HB (0.63) HSD17B10P4HBPDIA4PDIA3TSHR

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 3 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
US-5830873-A ANTIDIABETIC AGENT TANABE SEIYAKU CO., LTD. (JP) 1998-11-03 — — US 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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