SCHEMBL8329587

SCHEMBL8329587

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

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
TSHR P16473 2/20 0.32
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL8329599 0.87 ALDH1A1 (0.45) ALDH1A1TSHRLMNAMAPTHPGD
SCHEMBL8330052 0.83 TSHR (0.43) ALDH1A1TSHRKMT2ANPSR1L3MBTL1
SCHEMBL24869876 0.75 ALDH1A1 (0.59) ALDH1A1TSHRLMNAMAPTHPGD
SCHEMBL6081935 0.71 ALDH1A1 (0.55) ALDH1A1TSHRLMNAMAPTHPGD
SCHEMBL8329591 0.70 ALDH1A1 (0.54) ALDH1A1TSHRLMNAMAPTHPGD
SCHEMBL8330062 0.70 TSHR (0.48) ALDH1A1TSHRKMT2ANPSR1L3MBTL1
SCHEMBL1565359 0.67 ALDH1A1 (0.47) ALDH1A1TSHRLMNAMAPTHPGD
SCHEMBL31547177 0.67 ALDH1A1 (0.47) ALDH1A1TSHRLMNAMAPTHPGD
SCHEMBL15774199 0.66 ALDH1A1 (0.43) ALDH1A1TSHRLMNAMAPTHPGD
SCHEMBL1616497 0.66 ALDH1A1 (0.46) ALDH1A1TSHRLMNAMAPTHPGD

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