SCHEMBL26022198

SCHEMBL26022198

C=C/C=C(\C=C/C)c1ccc(COCCCCCN2C[C@H](O)C(=O)C(N=O)C2CO)cc1F

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 20/20 0.42
▸ UGCG Q16739 20/20 0.42
▸ GBA2 Q9HCG7 20/20 0.42
▸ LCT P09848 7/20 0.42
▸ SI P14410 5/20 0.42
▸ MGAM O43451 4/20 0.42

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
SCHEMBL25962093 1.00 GBA1 (0.42) GBA1UGCGGBA2LCTSI
SCHEMBL26219887 0.91 GBA1 (0.43) GBA1UGCGGBA2LCTSI
SCHEMBL25962172 0.88 GBA1 (0.42) GBA1UGCGGBA2LCTSI
SCHEMBL25962080 0.84 GBA1 (0.43) GBA1UGCGGBA2LCTSI
SCHEMBL25962125 0.83 UGCG (0.47) GBA1UGCGGBA2LCTSI
SCHEMBL25962117 0.82 UGCG (0.51) GBA1UGCGGBA2LCTSI
SCHEMBL25962292 0.81 GBA1 (0.41) GBA1UGCGGBA2LCTSI
SCHEMBL25962179 0.81 GBA1 (0.45) GBA1UGCGGBA2LCTSI
SCHEMBL25962370 0.81 UGCG (0.44) GBA1UGCGGBA2LCTSI
SCHEMBL25962145 0.81 UGCG (0.44) GBA1UGCGGBA2LCTSI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4114826-B1 CRYSTALLINE FORMS OF A PHARMACEUTICAL COMPOUND AZAFAROS B V (NL) 2023-08-23 — — EP disclosed
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