SCHEMBL8330632

SCHEMBL8330632

CCOCCC(C(=O)S)C(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
TSHR P16473 3/20 0.41
L3MBTL1 Q9Y468 5/20 0.39
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 5/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 3/20 0.38
THRB P10828 1/20 0.36
CPB2 Q96IY4 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL8329525 0.89 TDP1 (0.47) ALDH1A1TSHRL3MBTL1TDP1MEN1
SCHEMBL7486384 0.88 TDP1 (0.47) ALDH1A1TSHRL3MBTL1LMNASMN1; SMN2
SCHEMBL8331526 0.84 ALDH1A1 (0.48) ALDH1A1TSHRL3MBTL1LMNASMN1; SMN2
SCHEMBL10850237 0.79 L3MBTL1 (0.49) ALDH1A1TSHRL3MBTL1LMNASMN1; SMN2
SCHEMBL9518730 0.79 L3MBTL1 (0.49) ALDH1A1TSHRL3MBTL1LMNASMN1; SMN2
SCHEMBL24506841 0.78 ALDH1A1 (0.38) ALDH1A1TSHRL3MBTL1LMNASMN1; SMN2
SCHEMBL11871876 0.77 ALDH1A1 (0.42) ALDH1A1LMNASMN1; SMN2TDP1MEN1
SCHEMBL8330628 0.77 ALDH1A1 (0.37) ALDH1A1TSHRL3MBTL1LMNASMN1; SMN2
SCHEMBL8329597 0.76 TDP1 (0.57) ALDH1A1TSHRL3MBTL1TDP1MEN1
SCHEMBL20782771 0.75 ALDH1A1 (0.36) ALDH1A1TSHRL3MBTL1LMNASMN1; SMN2

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