SCHEMBL7979466

SCHEMBL7979466

C1CCC(OCC2CCO2)OC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
KDM4C Q9H3R0 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MGLL Q99685 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL19297387 0.96 LMNA (0.41) MEN1KMT2ALMNAPOLBKDM4C
SCHEMBL10354329 0.94 LMNA (0.43) MEN1KMT2ALMNAPOLBKDM4C
SCHEMBL18609254 0.89 LMNA (0.46) MEN1KMT2ALMNAPOLBNPC1
SCHEMBL28015283 0.89 LMNA (0.34) LMNAPOLBALDH1A1
SCHEMBL436526 0.88 TSHR (0.45) MEN1KMT2ALMNAPOLBKDM4C
SCHEMBL439061 0.88 TSHR (0.45) MEN1KMT2ALMNAPOLBKDM4C
SCHEMBL436527 0.88 TSHR (0.45) MEN1KMT2ALMNAPOLBKDM4C
SCHEMBL12574578 0.88 TSHR (0.45) MEN1KMT2ALMNAPOLBKDM4C
SCHEMBL19297378 0.86 MEN1 (0.35) MEN1KMT2ALMNAPOLBKDM4C
SCHEMBL23061526 0.83 TSHR (0.42) MEN1KMT2ALMNAPOLBKDM4C

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
US-6174877-B1 EXCELLANT BACTERICIDES, ORAL ABSORBABILITY AND STABILITY; IMPROVE THE STABILITY TO RENAL DEHYDROPEPTIDASE I (DHP-I); 2-(2-(N-HETEROCYCLIC-ETHYLTHIO-) DERIVATIVES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-01-16 US disclosed
EP-0876370-A1 CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1998-11-11 EP disclosed
WO-1997025325-A1 CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-07-17 WO disclosed