SCHEMBL7033650

SCHEMBL7033650

CCCCC1COC(C2CCC(c3ccc(CCCO)c(F)c3)CC2)OC1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.33
SPHK1 Q9NYA1 3/20 0.33
CTSK P43235 1/20 0.31
CTSC P53634 1/20 0.31
TYR P14679 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
SCHEMBL7024042 0.97 SPHK1 (0.34) CA2SPHK1CTSKCTSCTYR
SCHEMBL7032722 0.95 CA2 (0.34) CA2SPHK1CTSKCTSC
SCHEMBL7026499 0.95 SPHK1 (0.33) SPHK1CTSKCTSC
SCHEMBL7023946 0.92 SPHK1 (0.35) SPHK1CTSKCTSC
SCHEMBL10501488 0.91 SPHK1 (0.36) SPHK1CTSKCTSCTYR
SCHEMBL10503112 0.91 SPHK1 (0.33) SPHK1CTSKCTSCTYR
SCHEMBL10501474 0.91 SPHK1 (0.36) SPHK1CTSKCTSCTYR
SCHEMBL10503119 0.91 SPHK1 (0.33) SPHK1CTSKCTSCTYR
SCHEMBL10502229 0.90 SPHK1 (0.37) SPHK1TYR
SCHEMBL10502238 0.90 SPHK1 (0.37) SPHK1TYR

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
EP-0754668-B1 Fluorobenzylether derivatives ROLIC AG (CH) 2003-02-05 EP disclosed
EP-0754668-A2 Fluorobenzylether derivatives Rolic AG (CH) 1997-01-22 EP disclosed