SCHEMBL7029802

SCHEMBL7029802

CCCC1COC(C2CCC(c3ccc(CCO)c(F)c3)CC2)OC1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
CTSC P53634 3/20 0.32
CTSK P43235 2/20 0.32
PANK3 Q9H999 2/20 0.32
ESR2 Q92731 1/20 0.31
KDM5A P29375 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
SPHK1 Q9NYA1 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
SCHEMBL7026499 0.94 SPHK1 (0.33) CTSCCTSKSPHK1
SCHEMBL7032722 0.94 CA2 (0.34) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7023946 0.93 SPHK1 (0.35) CTSCCTSKSPHK1
SCHEMBL7033650 0.89 CA2 (0.33) CTSCCTSKSPHK1
SCHEMBL7024042 0.88 SPHK1 (0.34) MAPTMEN1KMT2ACTSCCTSK
SCHEMBL7025893 0.86
SCHEMBL7020418 0.86 CYP2C9 (0.44) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8389631 0.86 KDM5A (0.35) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7029800 0.86 KDM5A (0.35) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7027851 0.85 CYP2C9 (0.32) CYP2C9ALDH1A1LMNAMAPTMEN1

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