SCHEMBL30190179

SCHEMBL30190179

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

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.49
PSEN1 P49768 4/20 0.42
PSEN2 P49810 4/20 0.42
APH1B Q8WW43 4/20 0.42
NCSTN Q92542 4/20 0.42
APH1A Q96BI3 4/20 0.42
PSENEN Q9NZ42 4/20 0.42
MAPT P10636 2/20 0.41
BCHE P06276 3/20 0.40
ACHE P22303 1/20 0.40
PDPK1 O15530 1/20 0.39
MTOR P42345 1/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSK P43235 1/20 0.38
CYP2C19 P33261 1/20 0.38
HCRTR2 O43614 1/20 0.38
ALDH1A1 P00352 2/20 0.38

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
SCHEMBL29260410 1.00 PDE4D (0.49) PDE4DPSEN1PSEN2APH1BNCSTN
SCHEMBL21872714 1.00 PDE4D (0.49) PDE4DPSEN1PSEN2APH1BNCSTN
SCHEMBL30190032 1.00 PDE4D (0.49) PDE4DPSEN1PSEN2APH1BNCSTN
SCHEMBL29260367 1.00 PDE4D (0.49) PDE4DPSEN1PSEN2APH1BNCSTN
SCHEMBL20231391 1.00 PDE4D (0.49) PDE4DPSEN1PSEN2APH1BNCSTN
SCHEMBL24898573 1.00 PDE4D (0.49) PDE4DPSEN1PSEN2APH1BNCSTN
SCHEMBL8462243 0.92 PDE4D (0.43) PDE4DPSEN1PSEN2APH1BNCSTN
SCHEMBL21011807 0.83 PDE4D (0.51) PDE4DPSEN1PSEN2APH1BNCSTN
SCHEMBL22151309 0.83 PDE4D (0.51) PDE4DPSEN1PSEN2APH1BNCSTN
SCHEMBL25319621 0.83 PDE4D (0.51) PDE4DPSEN1PSEN2APH1BNCSTN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4370523-A1 HETEROCYCLIC COMPOUNDS AS MAP4K1 INHIBITORS Blueprint Medicines Corporation (US) 2024-05-22 EP disclosed
CN-117940438-A Heterocyclic compounds as MAP4K1 inhibitors 缆图药品公司 2024-04-26 CN disclosed
WO-2023288254-A1 HETEROCYCLIC COMPOUNDS AS MAP4K1 INHIBITORS BLUEPRINT MEDICINES CORPORATION (US) 2023-01-19 WO disclosed