SCHEMBL7028333

SCHEMBL7028333

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

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 10/20 0.34
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
FAAH O00519 1/20 0.32
FFAR4 Q5NUL3 2/20 0.31
KDM5A P29375 1/20 0.30
KDM4C Q9H3R0 1/20 0.30
KDM5B Q9UGL1 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
SCHEMBL8732551 0.91 GBA1 (0.37) NAAAGBA1LCTUGCGGBA2
SCHEMBL7033562 0.89 GBA1 (0.34) NAAAGBA1LCTUGCGGBA2
SCHEMBL8727651 0.89 GBA1 (0.39) NAAAGBA1LCTUGCGGBA2
SCHEMBL8725535 0.88 NAAA (0.35) NAAAGBA1LCTUGCGGBA2
SCHEMBL7024343 0.88 NAAA (0.35) NAAAGBA1LCTUGCGGBA2
SCHEMBL8387253 0.87 KDM5A (0.34) KDM5AKDM4CKDM5B
SCHEMBL7033040 0.87 KDM5A (0.34) KDM5AKDM4CKDM5B
SCHEMBL7027057 0.87 FFAR4 (0.33) NAAAGBA1LCTUGCGGBA2
SCHEMBL7028248 0.84 NAAA (0.36) NAAAGBA1LCTUGCGGBA2
SCHEMBL8389609 0.83 GBA1 (0.32) NAAAGBA1LCTUGCGGBA2

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