SCHEMBL8513384

SCHEMBL8513384

CCC1COCCN1CC1CC1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 4/20 0.36
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
GBA1 P04062 1/20 0.32
POLB P06746 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL890074 0.80 PDK1 (0.39) PDK1PDK2PDK3
SCHEMBL25125561 0.80 PDK1 (0.39) PDK1PDK2PDK3
Hydrochloric Acid SCHEMBL31393754 0.77 PDK1 (0.37) PDK1PDK2PDK3
SCHEMBL772683 0.77 PDK1 (0.37) PDK1PDK2PDK3
SCHEMBL9801150 0.77 PDK1 (0.37) PDK1PDK2PDK3HPGD
SCHEMBL9892853 0.76 GBA1 (0.46) GBA1
SCHEMBL24951483 0.74 PDK1 (0.36) PDK1PDK2PDK3
SCHEMBL30481604 0.74 PDK1 (0.36) PDK1PDK2PDK3GBA1
SCHEMBL24624661 0.74 PDK1 (0.36) PDK1PDK2PDK3
SCHEMBL9801092 0.74 PDK1 (0.41) PDK1PDK2PDK3GBA1

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-0997474-B1 Antithrombotic agents PFIZER (US) 2003-10-29 EP disclosed