SCHEMBL24898571

SCHEMBL24898571

C[C@@H]1[C@@H](OCc2ccccc2)C[C@H]1OS(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 4/20 0.41
PSEN2 P49810 4/20 0.41
APH1B Q8WW43 4/20 0.41
NCSTN Q92542 4/20 0.41
APH1A Q96BI3 4/20 0.41
PSENEN Q9NZ42 4/20 0.41
KCNA5 P22460 1/20 0.39
AR P10275 2/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDPK1 O15530 1/20 0.38
MTOR P42345 1/20 0.38
HCRTR2 O43614 1/20 0.37
BCHE P06276 2/20 0.37
MAPT P10636 1/20 0.37
CYP2C19 P33261 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL30190089 1.00 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22798652 0.85 BCHE (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22527528 0.83 AR (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22527530 0.83 AR (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22527529 0.83 AR (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21806792 0.81 KCNA5 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21806790 0.81 KCNA5 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21806791 0.81 KCNA5 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9895268 0.80 CTSL (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10002313 0.80 CTSL (0.38) PSEN1PSEN2APH1BNCSTNAPH1A

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-2023288254-A1 HETEROCYCLIC COMPOUNDS AS MAP4K1 INHIBITORS BLUEPRINT MEDICINES CORPORATION (US) 2023-01-19 WO disclosed