SCHEMBL7032403

SCHEMBL7032403

C=CCOCc1ccc(-c2ccc([C@H]3CC[C@H](CCCCC)CC3)cc2)cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.33
LCT P09848 2/20 0.33
UGCG Q16739 2/20 0.33
GBA2 Q9HCG7 2/20 0.33
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
CYP2C9 P11712 1/20 0.32
MAPT P10636 2/20 0.31
GAA P10253 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
ESR2 Q92731 2/20 0.31
DGAT1 O75907 1/20 0.31
RARA P10276 1/20 0.31
RARB P10826 1/20 0.31
SPHK1 Q9NYA1 1/20 0.31
NAAA Q02083 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
SCHEMBL7029773 0.93 CYP2C9 (0.39) GBA1LCTUGCGGBA2MGAM
SCHEMBL7032295 0.89 KDM5A (0.31) CYP2C9MAPTGAA
SCHEMBL8389685 0.89 KDM5A (0.31) CYP2C9MAPTGAA
SCHEMBL7026846 0.89 CYP2C9 (0.33) CYP2C9MAPTGAAALDH1A1LMNA
SCHEMBL7029011 0.89 CYP2C9 (0.35) GBA1LCTUGCGGBA2MGAM
SCHEMBL7024993 0.88 ESR2 (0.33) GBA1LCTUGCGGBA2MGAM
SCHEMBL8389581 0.86 KDM5A (0.32) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL7032811 0.86 KDM5A (0.32) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL8385805 0.85 GBA1 (0.31) GBA1LCTUGCGGBA2MGAM
SCHEMBL7030241 0.85 GBA1 (0.33) GBA1LCTUGCGGBA2MGAM

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