SCHEMBL8330184

SCHEMBL8330184

CCOCCOCCCC(C(=O)OCC)C(=O)OCC

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
L3MBTL1 Q9Y468 7/20 0.48
MAPK1 P28482 4/20 0.48
TSHR P16473 4/20 0.48
ALDH1A1 P00352 3/20 0.48
MAPT P10636 2/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
PTPN1 P18031 1/20 0.41
THRB P10828 1/20 0.40
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL8329597 0.96 TDP1 (0.57) TDP1MEN1KMT2AL3MBTL1MAPK1
SCHEMBL19415629 0.89 MEN1 (0.58) TDP1MEN1KMT2AL3MBTL1MAPK1
SCHEMBL8331526 0.88 ALDH1A1 (0.48) TDP1MEN1KMT2AL3MBTL1MAPK1
SCHEMBL20360933 0.87 TDP1 (0.53) TDP1MEN1KMT2AL3MBTL1MAPK1
SCHEMBL20360840 0.85 TDP1 (0.51) TDP1MEN1KMT2AL3MBTL1MAPK1
SCHEMBL8329525 0.85 TDP1 (0.47) TDP1MEN1KMT2AL3MBTL1MAPK1
SCHEMBL7486384 0.84 TDP1 (0.47) TDP1MEN1KMT2AL3MBTL1MAPK1
SCHEMBL10850237 0.84 L3MBTL1 (0.49) TDP1MEN1KMT2AL3MBTL1MAPK1
SCHEMBL9518730 0.84 L3MBTL1 (0.49) TDP1MEN1KMT2AL3MBTL1MAPK1
SCHEMBL22281399 0.82 TDP1 (0.45) TDP1MEN1KMT2AL3MBTL1MAPK1

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
US-5908863-A ANTIGROWTH AGENT FOR BONES DOMPE' S.P.A. (IT) 1999-06-01 US disclosed
EP-0792878-A2 Geminal carboxylic acids and esters thereof, pharmaceutical formulations containing them useful in the treatment of bone dysmetabolism Dompé S.P.A. (IT) 1997-09-03 EP disclosed