SCHEMBL18614736

SCHEMBL18614736

CC(C)(C)OC(=O)OC1C=CCN(C(=O)O)C1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PREP P48147 1/20 0.35
NR1H2 P55055 1/20 0.31

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
SCHEMBL18449799 0.88 PREP (0.40) PREPNR1H2
SCHEMBL22032691 0.82
SCHEMBL22032965 0.82
SCHEMBL22032693 0.82
SCHEMBL1219788 0.80 CHRM2 (0.32)
SCHEMBL30242513 0.75 PREP (0.39) PREPNR1H2
SCHEMBL30242481 0.75 PREP (0.39) PREPNR1H2
SCHEMBL22032728 0.75 PREP (0.39) PREPNR1H2
SCHEMBL1220564 0.73
SCHEMBL17049887 0.73 PREP (0.42) PREPNR1H2

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-3347350-A1 HETEROCYCLIC CONSTRAINED TRICYCLIC SULFONAMIDES AS ANTI-CANCER AGENTS Icahn School of Medicine at Mount Sinai (US) 2018-07-18 EP disclosed
WO-2017044567-A1 HETEROCYCLIC CONSTRAINED TRICYCLIC SULFONAMIDES AS ANTI-CANCER AGENTS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2017-03-16 WO disclosed