SCHEMBL6040475

SCHEMBL6040475

O=C(O)C1(O)CCCCC1O.OC1(O)CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.33
HSD11B1 P28845 2/20 0.32
LMNA P02545 1/20 0.30
TSHR P16473 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
SCHEMBL22324095 0.94 CYP2C19 (0.35) CYP2C19HSD11B1LMNATSHR
SCHEMBL22323586 0.94 CYP2C19 (0.35) CYP2C19HSD11B1LMNATSHR
SCHEMBL2832691 0.92 LMNA (0.33) CYP2C19HSD11B1LMNATSHR
SCHEMBL6142784 0.92 LMNA (0.33) CYP2C19HSD11B1LMNATSHR
SCHEMBL7130222 0.92 LMNA (0.33) CYP2C19HSD11B1LMNATSHR
SCHEMBL6143371 0.86 LMNA (0.31) CYP2C19LMNATSHR
SCHEMBL3227341 0.86 CYP1A2 (0.31)
SCHEMBL3189299 0.77
SCHEMBL17818912 0.74 CYP2C19 (0.32) CYP2C19
Bicarbonate SCHEMBL28681892 0.71 CYP2C19 (0.40) CYP2C19LMNATSHR

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-1655372-A2 Production of polyketides and other natural products Biotica Technology Limited (GB) 2006-05-10 EP disclosed