SCHEMBL19622368

SCHEMBL19622368

C=CC(=O)C(CC)CCC1CCC(CN(CC)C(=O)C=C)CC1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.30
THRB P10828 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
SCHEMBL21335859 0.93 MAPT (0.33) THRATHRB
SCHEMBL19472467 0.82 ALDH1A1 (0.37) THRATHRB
SCHEMBL21350939 0.80 MAPT (0.32)
SCHEMBL19479961 0.76 ZDHHC20 (0.43) THRATHRB
SCHEMBL18457812 0.75 PLG (0.38) THRATHRB
SCHEMBL19493317 0.72
SCHEMBL19622371 0.71 ZDHHC20 (0.44)
SCHEMBL19633539 0.71 ZDHHC20 (0.44)
SCHEMBL3638765 0.65 CHRM1 (0.46)
SCHEMBL812136 0.64

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-3246002-A1 DENTAL COMPOSITION DENTSPLY DETREY GmbH (DE) 2017-11-22 EP disclosed