SCHEMBL11089216

SCHEMBL11089216

CCCCCCCCC(C)C(OC(C(C)CCCCCCCC)C1CO1)C1CO1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 1/20 0.37
SPHK1 Q9NYA1 3/20 0.36
SPHK2 Q9NRA0 2/20 0.33
SMPD1 P17405 2/20 0.33
OPRM1 P35372 1/20 0.33

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
SCHEMBL28703083 0.81 ALDH1A1 (0.41) ALDH1A1TDP1SPHK1SPHK2OPRM1
SCHEMBL10336318 0.81 ALDH1A1 (0.37) ALDH1A1TDP1SPHK1SPHK2
SCHEMBL11063153 0.79 ALDH1A1 (0.36) ALDH1A1TDP1SPHK1SPHK2
SCHEMBL1665794 0.77
SCHEMBL2035594 0.76 ALDH1A1 (0.42) ALDH1A1TDP1SPHK1SPHK2
SCHEMBL2773155 0.76 ALDH1A1 (0.42) ALDH1A1TDP1SPHK1SPHK2
SCHEMBL7775057 0.76 ALDH1A1 (0.42) ALDH1A1TDP1SPHK1SPHK2
SCHEMBL7774934 0.76 ALDH1A1 (0.42) ALDH1A1TDP1SPHK1SPHK2
SCHEMBL2029982 0.76 ALDH1A1 (0.42) ALDH1A1TDP1SPHK1SPHK2
SCHEMBL1668243 0.76 ALDH1A1 (0.42) ALDH1A1TDP1SPHK1SPHK2

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
US-4465869-A Process for the production of glyceryl ethers KAO CORPORATION (JP) 1984-08-14 US disclosed