SCHEMBL23158337

SCHEMBL23158337

CCCCN1C[C@@H]2C[C@H]1CO2

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GBA2 Q9HCG7 15/20 0.38
GAA P10253 5/20 0.38
GBA1 P04062 5/20 0.38
UGCG Q16739 3/20 0.38
MGAM O43451 2/20 0.38
SI P14410 2/20 0.38
AGL P35573 2/20 0.38
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
TLR7 Q9NYK1 1/20 0.35
KIF11 P52732 2/20 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
SCHEMBL16511216 1.00 GBA2 (0.38) GBA2GAAGBA1UGCGMGAM
SCHEMBL25914962 0.93 GBA2 (0.41) GBA2GAAGBA1UGCG
SCHEMBL12717919 0.89 ESR1 (0.34) GAATLR7KIF11
SCHEMBL8369391 0.89 ESR1 (0.34) GAATLR7KIF11
SCHEMBL12716623 0.89 ESR1 (0.34) GAATLR7KIF11
SCHEMBL23074745 0.82 GBA1 (0.36) GBA1KIF11
SCHEMBL23074743 0.82 GBA1 (0.36) GBA1KIF11
SCHEMBL15699287 0.82 GBA1 (0.36) GBA1KIF11
SCHEMBL23158261 0.81 KIF11 (0.33) KIF11
SCHEMBL19617858 0.81 KIF11 (0.34) KIF11

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
WO-2021127404-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. (US) 2021-06-24 WO disclosed
WO-2021057832-A1 KRAS MUTANT PROTEIN INHIBITOR JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2021-04-01 WO disclosed