SCHEMBL8098512

SCHEMBL8098512

CC(C)(C)OC(=O)CCC1(OC(=O)O)CCCC1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.35
CTSK P43235 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
SCHEMBL5924850 0.79 EPHX2 (0.32) EPHX2
SCHEMBL2503186 0.77 CYP2C19 (0.40) EPHX2
SCHEMBL5823235 0.75 CYP2C19 (0.43) EPHX2
SCHEMBL2500668 0.75 EPHX2 (0.34) EPHX2
Hydrochloric Acid SCHEMBL27793130 0.73 EPHX2 (0.33) EPHX2
SCHEMBL23833073 0.70 EPHX2 (0.32) EPHX2
SCHEMBL11640879 0.69 MEN1 (0.40) CTSK
SCHEMBL14655834 0.69 MEN1 (0.34) CTSK
SCHEMBL8472935 0.68 MEN1 (0.39) CTSK
SCHEMBL16111290 0.68 EPHX2 (0.34) EPHX2

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
EP-0733642-B1 Benzazepin-, benzoxazepin- and benzothiazepin-N-acetic acid-derivatives, their preparation and their pharmaceutical compositions SOLVAY PHARM GMBH (DE) 2000-11-29 EP disclosed
EP-0733642-A1 Benzazepin-, benzoxazepin- and benzothiazepin-N-acetic acid-derivatives, their preparation and their pharmaceutical compositions Kali-Chemie Pharma GmbH (DE) 1996-09-25 EP disclosed