SCHEMBL11045920

SCHEMBL11045920

CC(C)(C)OC(=O)N(Cc1ccccc1)[C@H]1C[C@@H](C(=O)O)N(C(=O)OCc2ccccc2)C1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.51
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
AGTR2 P50052 7/20 0.41
POLB P06746 1/20 0.41
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
CETP P11597 1/20 0.40

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
SCHEMBL11045918 1.00 HSD11B1 (0.51) HSD11B1JAK2JAK1AGTR2POLB
SCHEMBL26966069 0.89 HSD11B1 (0.52) HSD11B1JAK2JAK1AGTR2CETP
SCHEMBL26966070 0.89 HSD11B1 (0.48) HSD11B1JAK2JAK1AGTR2CETP
SCHEMBL26966018 0.87 HSD11B1 (0.47) HSD11B1JAK2JAK1AGTR2CETP
SCHEMBL13841899 0.84 HSD11B1 (0.45) HSD11B1JAK2JAK1AGTR2CETP
SCHEMBL2820222 0.84 HSD11B1 (0.45) HSD11B1JAK2JAK1AGTR2CETP
SCHEMBL20299758 0.83 HSD11B1 (0.48) HSD11B1JAK2JAK1AGTR2CETP
SCHEMBL13841892 0.82 HSD11B1 (0.52) HSD11B1JAK2JAK1AGTR2CETP
SCHEMBL2824379 0.82 HSD11B1 (0.52) HSD11B1JAK2JAK1AGTR2CETP
SCHEMBL21285790 0.81 FKBP1A (0.42) HSD11B1JAK2JAK1AGTR2POLB

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
US-4462943-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1984-07-31 US disclosed
EP-0052991-A1 Carboxyalkyl amino acid derivatives of various substituted prolines E.R. Squibb & Sons, Inc. (US) 1982-06-02 EP disclosed