SCHEMBL5608405

SCHEMBL5608405

CCc1ccc(Oc2ccc(CC)cc2CC2CO2)c(CC2CO2)c1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.34
SLC6A4 P31645 4/20 0.34
SLC6A3 Q01959 4/20 0.34
AKT1 P31749 1/20 0.34
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
TRPA1 O75762 1/20 0.32

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
SCHEMBL2938923 0.83 THRA (0.43)
SCHEMBL3401884 0.80 SLC6A4 (0.38) SLC6A2SLC6A4SLC6A3ALDH1A1GLA
SCHEMBL3401890 0.80 SLC6A4 (0.38) SLC6A2SLC6A4SLC6A3ALDH1A1GLA
SCHEMBL9452369 0.78 ALDH1A1 (0.39) SLC6A2SLC6A4SLC6A3ALDH1A1GLA
SCHEMBL3403969 0.77 IDO1 (0.42) SLC6A2SLC6A4SLC6A3
SCHEMBL1027826 0.77 IDO1 (0.42) SLC6A2SLC6A4SLC6A3
SCHEMBL7236349 0.77 SLC6A4 (0.51) SLC6A2SLC6A4SLC6A3
SCHEMBL1422672 0.77 SLC6A4 (0.36) SLC6A2SLC6A4SLC6A3ALDH1A1GLA
SCHEMBL3373106 0.77 SLC6A4 (0.51) SLC6A2SLC6A4SLC6A3
SCHEMBL1422669 0.77 SLC6A4 (0.36) SLC6A2SLC6A4SLC6A3ALDH1A1GLA

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-7291682-B2 Method of producing comb or star copolymers using epoxy-functionalized nitroxylethers CIBA SPECIALTY CHEMICALS CORP. (US) 2007-11-06 US claimed