SCHEMBL8897463

SCHEMBL8897463

C[C@H]1OC(OOCC=S)[C@@H](O)[C@@H](O)[C@@H]1O

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ FUCA1 P04066 1/20 0.33
▸ AMY1A P0DUB6 1/20 0.32
▸ STAT3 P40763 1/20 0.30

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
SCHEMBL8093238 0.82 FUCA1 (0.34) FUCA1AMY1ASTAT3
SCHEMBL8897216 0.78 FUCA1 (0.36) FUCA1AMY1A
SCHEMBL8771540 0.71 FUCA1 (0.35) FUCA1AMY1A
SCHEMBL28305170 0.69 CA9 (0.37) FUCA1AMY1A
SCHEMBL11883382 0.68 AMY1A (0.43) FUCA1AMY1ASTAT3
SCHEMBL21303568 0.68 AMY1A (0.43) FUCA1AMY1ASTAT3
SCHEMBL25626385 0.68 AMY1A (0.43) FUCA1AMY1ASTAT3
SCHEMBL21754731 0.68 FUCA1 (0.39) FUCA1AMY1ASTAT3
SCHEMBL29482063 0.68 AMY1A (0.43) FUCA1AMY1ASTAT3
SCHEMBL5670720 0.68 L3MBTL1 (0.36) FUCA1AMY1ASTAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5624909-A Derivatives of triterpenoid acids as inhibitors of cell-adhesion molecules ELAM-1 (e-selectin) and LECAM-1 (l-selectin) GLYCOMED INCORPORATED (US) 1997-04-29 — — US disclosed
EP-0691813-A4 DERIVATIVES OF TRITERPENOID ACIDS AS INHIBITORS OF CELL-ADHESION MOLECULES ELAM-1 (E-SELECTIN) AND LECAM-1 (L-SELECTIN) GLYCOMED INC (US) 1996-08-07 — — EP disclosed
US-5519008-A Derivatives of triterpenoid acids as inhibitors of cell-adhesion molecules ELAM-1 (E-selectin) and LECAM-1 (L-selectin) GLYCOMED INCORPORATED (US) 1996-05-21 — — US disclosed
EP-0691813-A1 DERIVATIVES OF TRITERPENOID ACIDS AS INHIBITORS OF CELL-ADHESION MOLECULES ELAM-1 (E-SELECTIN) AND LECAM-1 (L-SELECTIN) GLYCOMED INCORPORATED (US) 1996-01-17 — — EP disclosed
WO-1994005152-A1 DERIVATIVES OF TRITERPENOID ACIDS AS INHIBITORS OF CELL-ADHESION MOLECULES ELAM-1 (E-SELECTIN) AND LECAM-1 (L-SELECTIN) GLYCOMED INCORPORATED (US) 1994-03-17 — — WO disclosed
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