SCHEMBL6143371

SCHEMBL6143371

O=C(O)C1(O)CCCCC1O.O[C@@H]1CCCC[C@@H]1O

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 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
SCHEMBL6142784 0.94 LMNA (0.33) LMNATSHRCYP2C19
SCHEMBL2832691 0.94 LMNA (0.33) LMNATSHRCYP2C19
SCHEMBL7130222 0.94 LMNA (0.33) LMNATSHRCYP2C19
SCHEMBL22323586 0.92 CYP2C19 (0.35) LMNATSHRCYP2C19
SCHEMBL22324095 0.92 CYP2C19 (0.35) LMNATSHRCYP2C19
SCHEMBL3227341 0.87 CYP1A2 (0.31)
SCHEMBL6040475 0.86 CYP2C19 (0.33) LMNATSHRCYP2C19
SCHEMBL3189299 0.78
SCHEMBL17818912 0.75 CYP2C19 (0.32) CYP2C19
SCHEMBL6143368 0.73 GSR (0.36) CYP2C19

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-1589031-A2 Production of polyketides and other natural products Biotica Technology Limited (GB) 2005-10-26 EP disclosed