SCHEMBL7347136

SCHEMBL7347136

CC(C)(C)O[C@H]1C[C@@H](C(=O)O)N(C(=O)OCc2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
PDK1 Q15118 1/20 0.46
PDK2 Q15119 1/20 0.46
PDK3 Q15120 1/20 0.46
PDK4 Q16654 1/20 0.46
AGTR2 P50052 3/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTR2C P28335 1/20 0.43
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42

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
SCHEMBL6944593 1.00 POLB (0.46) POLBPDK1PDK2PDK3PDK4
SCHEMBL2177134 1.00 POLB (0.46) POLBPDK1PDK2PDK3PDK4
SCHEMBL2175331 1.00 POLB (0.46) POLBPDK1PDK2PDK3PDK4
SCHEMBL13387830 0.92 POLB (0.45) POLBPDK1PDK2PDK3PDK4
SCHEMBL12234850 0.92 POLB (0.48) POLBPDK1PDK2PDK3PDK4
SCHEMBL13379347 0.91 PDK1 (0.47) POLBPDK1PDK2PDK3PDK4
SCHEMBL23364628 0.90 POLB (0.46) POLBPDK1PDK2PDK3PDK4
SCHEMBL13388734 0.90 POLB (0.44) POLBPDK1PDK2PDK3PDK4
SCHEMBL17124819 0.90 POLB (0.46) POLBPDK1PDK2PDK3PDK4
SCHEMBL6936752 0.89 POLB (0.50) POLBPDK1PDK2PDK3PDK4

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
US-4316906-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1982-02-23 US disclosed