SCHEMBL7024993

SCHEMBL7024993

C=CCC[C@H]1CC[C@H](c2ccc(-c3ccc(COCC=C)c(F)c3)cc2)CC1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.33
GBA1 P04062 2/20 0.32
LCT P09848 2/20 0.32
UGCG Q16739 2/20 0.32
GBA2 Q9HCG7 2/20 0.32
MGAM O43451 1/20 0.32
SI P14410 1/20 0.32
NAAA Q02083 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
SCHEMBL7029773 0.90 CYP2C9 (0.39) ESR2GBA1LCTUGCGGBA2
SCHEMBL7027057 0.90 FFAR4 (0.33) ESR2GBA1LCTUGCGGBA2
SCHEMBL7030241 0.89 GBA1 (0.33) ESR2GBA1LCTUGCGGBA2
SCHEMBL7030987 0.88 ESR2 (0.34) ESR2
SCHEMBL7026091 0.88 ESR2 (0.34) ESR2NAAA
SCHEMBL7032403 0.88 GBA1 (0.33) ESR2GBA1LCTUGCGGBA2
SCHEMBL7033562 0.86 GBA1 (0.34) GBA1LCTUGCGGBA2MGAM
SCHEMBL8390221 0.84 FFAR4 (0.36) GBA1LCTUGCGGBA2MGAM
SCHEMBL8731057 0.83 ESR2 (0.38) ESR2
SCHEMBL8732098 0.83 ESR2 (0.38) ESR2

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