SCHEMBL11293050

SCHEMBL11293050

CCOC(=O)[C@@H]1C[C@H](NCc2ccccc2)CN1C(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
FKBP1A P62942 5/20 0.47
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
NPFFR1 Q9GZQ6 1/20 0.42
NPFFR2 Q9Y5X5 1/20 0.42
GFER P55789 1/20 0.41
HTR2C P28335 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
SCHEMBL11048379 0.88 AGTR2 (0.50) POLBFKBP1AHTR2C
SCHEMBL11048376 0.88 AGTR2 (0.50) POLBFKBP1AHTR2C
SCHEMBL7423869 0.84 POLB (0.51) POLBFKBP1ATSHRL3MBTL1KDM4E
SCHEMBL7310404 0.83 POLB (0.62) POLBFKBP1ATSHRL3MBTL1KDM4E
SCHEMBL8477557 0.83 POLB (0.62) POLBFKBP1ATSHRL3MBTL1KDM4E
SCHEMBL8477698 0.83 POLB (0.62) POLBFKBP1ATSHRL3MBTL1KDM4E
SCHEMBL8482480 0.83 POLB (0.62) POLBFKBP1ATSHRL3MBTL1KDM4E
SCHEMBL8477697 0.83 POLB (0.62) POLBFKBP1ATSHRL3MBTL1KDM4E
SCHEMBL16356837 0.83 POLB (0.52) POLBFKBP1ATSHRL3MBTL1KDM4E
SCHEMBL8477564 0.83 POLB (0.62) POLBFKBP1ATSHRL3MBTL1KDM4E

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-0052991-A1 Carboxyalkyl amino acid derivatives of various substituted prolines E.R. Squibb & Sons, Inc. (US) 1982-06-02 EP disclosed