SCHEMBL8385805

SCHEMBL8385805

C=CCOCc1ccc(-c2ccccc2[C@H]2CC[C@H](CCCCC)CC2)cc1F

nearest known ligand 0.31

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.31
LCT P09848 2/20 0.31
UGCG Q16739 2/20 0.31
GBA2 Q9HCG7 2/20 0.31
MGAM O43451 1/20 0.31
SI P14410 1/20 0.31
LTB4R2 Q9NPC1 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRK1 P41145 1/20 0.31
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
OPRL1 P41146 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
SCHEMBL8389623 0.93 FFAR4 (0.32) GBA1LCTUGCGGBA2MGAM
SCHEMBL8387321 0.89 LTB4R2 (0.35) GBA1LCTUGCGGBA2MGAM
SCHEMBL8387163 0.89 GAA (0.31) GAAMAPT
SCHEMBL8390221 0.88 FFAR4 (0.36) GBA1LCTUGCGGBA2MGAM
SCHEMBL8390144 0.86 OPRL1 (0.34) LTB4R2FFAR4OPRM1OPRK1GAA
SCHEMBL8385815 0.86 FFAR4 (0.33) GBA1LCTUGCGGBA2MGAM
SCHEMBL7032403 0.85 GBA1 (0.33) GBA1LCTUGCGGBA2MGAM
SCHEMBL8387171 0.84 GBA1 (0.33) GBA1LCTUGCGGBA2MGAM
SCHEMBL8385968 0.83 FFAR4 (0.35) GBA1LCTUGCGGBA2MGAM
SCHEMBL8390766 0.82 FFAR4 (0.34) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5888423-A Fluorobenzyl ether derivatives ROLIC AG (CH) 1999-03-30 US disclosed