SCHEMBL8994466

SCHEMBL8994466

CCOCCCC(CC)OCC

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
THRB P10828 1/20 0.32
LMNA P02545 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
SCHEMBL28534869 0.84
SCHEMBL27653201 0.81 ALDH1A1 (0.36) ALDH1A1THRBLMNA
SCHEMBL11105494 0.81 ALDH1A1 (0.30) ALDH1A1
SCHEMBL28096431 0.80 THRB (0.38) THRBLMNA
Benzene SCHEMBL28569025 0.80 ALDH1A1 (0.32) ALDH1A1THRB
SCHEMBL19060744 0.78 ALDH1A1 (0.37) ALDH1A1THRBLMNA
SCHEMBL28289881 0.76 OPRM1 (0.44) THRBLMNA
Butane SCHEMBL28202376 0.76 ALDH1A1 (0.36) ALDH1A1THRBLMNA
Methane SCHEMBL27957514 0.76 ALDH1A1 (0.36) ALDH1A1THRBLMNA
SCHEMBL15167178 0.76 DNM1 (0.32) ALDH1A1THRB

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-0625975-B1 CYCLOHEXENONE OXIME ETHERS, PROCESS FOR MAKING THEM AND THEIR USE AS HERBICIDES BASF AG (DE) 1996-08-14 EP disclosed