SCHEMBL27747732

SCHEMBL27747732

CC(C1(O)CCCCC1)C1(O)CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.33
SLC6A4 P31645 6/20 0.33
SLC6A3 Q01959 3/20 0.33
ALDH1A1 P00352 1/20 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
SCHEMBL1414825 0.81 OPRM1 (0.36) SLC6A2SLC6A4SLC6A3ALDH1A1OPRM1
SCHEMBL18268918 0.81 OPRM1 (0.36) SLC6A2SLC6A4SLC6A3ALDH1A1OPRM1
SCHEMBL17487284 0.81 OPRM1 (0.36) SLC6A2SLC6A4SLC6A3ALDH1A1OPRM1
SCHEMBL9380578 0.79 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3ALDH1A1OPRM1
SCHEMBL15891575 0.79 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3OPRM1
SCHEMBL3764843 0.79 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3ALDH1A1OPRM1
SCHEMBL7934841 0.79 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3ALDH1A1OPRM1
SCHEMBL2292865 0.78
SCHEMBL1661392 0.77 SLC6A4 (0.36) SLC6A2SLC6A4SLC6A3OPRM1
SCHEMBL7108059 0.77 SLC6A4 (0.36) SLC6A2SLC6A4SLC6A3OPRM1

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
CN-101486743-B Novel iridoid compound with anti-Alzheimer's disease function BEIJING DRUG SCREENING BIO TECH CO LTD 2012-07-18 CN disclosed
CN-101486743-A Novel iridoid compound with anti-Alzheimer's disease function BEIJING DRUG SCREENING BIO TEC (CN) 2009-07-22 CN disclosed