SCHEMBL7033562

SCHEMBL7033562

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

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.34
LCT P09848 2/20 0.34
UGCG Q16739 2/20 0.34
GBA2 Q9HCG7 2/20 0.34
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
NAAA Q02083 2/20 0.34
FFAR4 Q5NUL3 1/20 0.31
KDM5A P29375 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
FAAH O00519 1/20 0.30
IDO1 P14902 1/20 0.30
AGXT P21549 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
SCHEMBL7028333 0.89 NAAA (0.34) GBA1LCTUGCGGBA2MGAM
SCHEMBL7030241 0.88 GBA1 (0.33) GBA1LCTUGCGGBA2MGAM
SCHEMBL8725023 0.88 GBA1 (0.31) GBA1LCTUGCGGBA2MGAM
SCHEMBL8725021 0.88 GBA1 (0.31) GBA1LCTUGCGGBA2MGAM
SCHEMBL8725027 0.88 GBA1 (0.31) GBA1LCTUGCGGBA2MGAM
SCHEMBL8732551 0.87 GBA1 (0.37) GBA1LCTUGCGGBA2MGAM
SCHEMBL8730352 0.87 KDM5A (0.35) KDM5AKDM4CKDM5BIDO1AGXT
SCHEMBL7024343 0.87 NAAA (0.35) GBA1LCTUGCGGBA2MGAM
SCHEMBL8730360 0.87 KDM5A (0.35) KDM5AKDM4CKDM5BIDO1AGXT
SCHEMBL8725535 0.87 NAAA (0.35) 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