SCHEMBL8329591

SCHEMBL8329591

CCOC(=O)C(C(=O)S)C1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.44
NPSR1 Q6W5P4 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
TSHR P16473 5/20 0.40
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
GAA P10253 2/20 0.37
RECQL P46063 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL24869876 0.90 ALDH1A1 (0.59) ALDH1A1L3MBTL1NPSR1KMT2ALMNA
SCHEMBL6081935 0.85 ALDH1A1 (0.55) ALDH1A1L3MBTL1NPSR1KMT2ALMNA
SCHEMBL8330056 0.83 ALDH1A1 (0.56) ALDH1A1L3MBTL1NPSR1KMT2ATSHR
SCHEMBL1565359 0.77 ALDH1A1 (0.47) ALDH1A1L3MBTL1NPSR1KMT2ALMNA
SCHEMBL31547177 0.77 ALDH1A1 (0.47) ALDH1A1L3MBTL1NPSR1KMT2ALMNA
SCHEMBL1565504 0.76 ALDH1A1 (0.46) ALDH1A1L3MBTL1NPSR1KMT2ALMNA
SCHEMBL1616497 0.76 ALDH1A1 (0.46) ALDH1A1L3MBTL1NPSR1KMT2ALMNA
SCHEMBL2078533 0.76 ALDH1A1 (0.46) ALDH1A1L3MBTL1NPSR1KMT2ALMNA
SCHEMBL9209640 0.76 L3MBTL1 (0.61) ALDH1A1L3MBTL1NPSR1KMT2ALMNA
SCHEMBL8329599 0.74 ALDH1A1 (0.45) ALDH1A1L3MBTL1NPSR1KMT2ALMNA

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