SCHEMBL7932128

SCHEMBL7932128

CO[C@@H]1[C@@H](OC(=O)c2ccccc2)[C@H](S)O[C@H]2COC(C)(C)O[C@@H]12

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ TSHR P16473 2/20 0.36
▸ BCHE P06276 1/20 0.36
▸ ABCB1 P08183 5/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ KMT2A Q03164 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ APOBEC3A P31941 1/20 0.33
▸ APOBEC3G Q9HC16 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
SCHEMBL12729386 0.83 ALDH1A1 (0.37) ALDH1A1GAATSHRBCHEABCB1
SCHEMBL1648065 0.83 ALDH1A1 (0.37) ALDH1A1GAATSHRBCHEABCB1
SCHEMBL2456071 0.83 CA2 (0.36) TSHR
SCHEMBL14568965 0.81 ALDH1A1 (0.43) ALDH1A1GAATSHRBCHEABCB1
SCHEMBL14440540 0.81 ALDH1A1 (0.43) ALDH1A1GAATSHRBCHEABCB1
SCHEMBL14440928 0.81 ALDH1A1 (0.43) ALDH1A1GAATSHRBCHEABCB1
SCHEMBL14428933 0.81 ALDH1A1 (0.43) ALDH1A1GAATSHRBCHEABCB1
SCHEMBL7902263 0.81 L3MBTL1 (0.41) ALDH1A1GAATSHRBCHEABCB1
SCHEMBL7691337 0.79 ALDH1A1 (0.55) ALDH1A1GAATSHRABCB1KMT2A
SCHEMBL17773534 0.78 PTGES2 (0.41) ALDH1A1GAATSHRBCHEABCB1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0904299-B1 SYNTHETIC POLYSACCHARIDES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID POLYSACCHARIDES SANOFI SYNTHELABO (FR) 2001-08-29 — — EP disclosed
EP-0904299-A1 SYNTHETIC POLYSACCHARIDES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID POLYSACCHARIDES SANOFI (FR) 1999-03-31 — — EP disclosed
WO-1997047659-A1 SYNTHETIC POLYSACCHARIDES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID POLYSACCHARIDES SANOFI (FR) 1997-12-18 — — WO disclosed
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