SCHEMBL8329599

SCHEMBL8329599

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
TSHR P16473 4/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
RECQL P46063 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
PPM1B O75688 1/20 0.33
PTPN1 P18031 1/20 0.33
PPP1CC P36873 1/20 0.33
GAA P10253 1/20 0.33
POLB P06746 1/20 0.33
PDE4B Q07343 1/20 0.32

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
SCHEMBL8329587 0.87 ALDH1A1 (0.40) ALDH1A1TSHRL3MBTL1NPSR1LMNA
SCHEMBL8330062 0.84 TSHR (0.48) ALDH1A1TSHRL3MBTL1NPSR1KMT2A
SCHEMBL24869876 0.80 ALDH1A1 (0.59) ALDH1A1TSHRL3MBTL1NPSR1LMNA
SCHEMBL6081935 0.76 ALDH1A1 (0.55) ALDH1A1TSHRL3MBTL1NPSR1LMNA
SCHEMBL8329591 0.74 ALDH1A1 (0.54) ALDH1A1TSHRL3MBTL1NPSR1LMNA
SCHEMBL21834562 0.72 L3MBTL1 (0.51) ALDH1A1TSHRL3MBTL1NPSR1LMNA
SCHEMBL1565359 0.71 ALDH1A1 (0.47) ALDH1A1TSHRL3MBTL1NPSR1LMNA
SCHEMBL31547177 0.71 ALDH1A1 (0.47) ALDH1A1TSHRL3MBTL1NPSR1LMNA
SCHEMBL2328825 0.71 USP2 (0.38) ALDH1A1RECQL
SCHEMBL8330052 0.70 TSHR (0.43) ALDH1A1TSHRL3MBTL1NPSR1KMT2A

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