SCHEMBL31163905

SCHEMBL31163905

CCOc1cccc(COCC(F)CCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)C2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ GBA1 P04062 7/20 0.38
▸ UGCG Q16739 7/20 0.38
▸ GBA2 Q9HCG7 7/20 0.38
▸ LCT P09848 2/20 0.38
▸ SI P14410 2/20 0.38
▸ MGAM O43451 1/20 0.38
▸ GUSB P08236 2/20 0.36
▸ GRIN1 Q05586 2/20 0.36
▸ GRIN2B Q13224 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ PYGL P06737 1/20 0.34
▸ GAA P10253 1/20 0.34

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
SCHEMBL31163693 0.83 GBA1 (0.37) GBA1UGCGGBA2LCTSI
SCHEMBL31163691 0.83 GBA1 (0.37) GBA1UGCGGBA2LCTSI
SCHEMBL31163863 0.83 GBA1 (0.49) GBA1UGCGGBA2LCTSI
SCHEMBL31163699 0.81 GUSB (0.43) GBA1UGCGGBA2LCTSI
SCHEMBL31163689 0.81 GUSB (0.43) GBA1UGCGGBA2LCTSI
SCHEMBL31163785 0.79 GBA1 (0.43) GBA1UGCGGBA2LCTSI
SCHEMBL31163877 0.79 GUSB (0.44) GBA1UGCGGBA2LCTSI
SCHEMBL31163686 0.79 GBA1 (0.48) GBA1UGCGGBA2LCTSI
SCHEMBL31163690 0.79 GBA1 (0.48) GBA1UGCGGBA2LCTSI
SCHEMBL31163917 0.78 UGCG (0.49) 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
WO-2024179491-A1 GBA1 AND GCS DUAL MODULATOR ONO PHARMACEUTICAL CO., LTD. (JP) 2024-09-06 — — WO disclosed
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