SCHEMBL8389609

SCHEMBL8389609

C=C[C@H]1CC[C@H](c2ccccc2-c2ccc(COCC)c(F)c2)CC1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
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
HTR1A P08908 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
NAAA Q02083 2/20 0.32
PTGS2 P35354 1/20 0.32
LTB4R2 Q9NPC1 1/20 0.31
ALOX5AP P20292 4/20 0.30
FEN1 P39748 4/20 0.30
FFAR4 Q5NUL3 2/20 0.30
HTR6 P50406 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
SCHEMBL8387171 0.90 GBA1 (0.33) GBA1LCTUGCGGBA2MGAM
SCHEMBL8390781 0.89 NAAA (0.35) HTR1ASLC6A2SLC6A4SLC6A3NAAA
SCHEMBL8385968 0.88 FFAR4 (0.35) GBA1LCTUGCGGBA2MGAM
SCHEMBL8385977 0.85 ALOX5AP (0.38) GBA1LCTUGCGGBA2MGAM
SCHEMBL8390766 0.83 FFAR4 (0.34) GBA1LCTUGCGGBA2MGAM
SCHEMBL7028333 0.83 NAAA (0.34) GBA1LCTUGCGGBA2MGAM
SCHEMBL8389623 0.81 FFAR4 (0.32) GBA1LCTUGCGGBA2MGAM
SCHEMBL8387321 0.81 LTB4R2 (0.35) GBA1LCTUGCGGBA2MGAM
SCHEMBL8385815 0.80 FFAR4 (0.33) GBA1LCTUGCGGBA2MGAM
SCHEMBL8385805 0.79 GBA1 (0.31) 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