SCHEMBL8078431

SCHEMBL8078431

CCc1ccc(-c2c(F)cccc2F)cc1CC.CN[C@@H](CS)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.38
DCLRE1B Q9H816 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
AKR1C3 P42330 2/20 0.34
AKR1C2 P52895 2/20 0.34
FFAR1 O14842 3/20 0.34
PTGS2 P35354 3/20 0.34
ITGB2 P05107 2/20 0.34
ICAM1 P05362 2/20 0.34
ITGAL P20701 2/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
FAAH O00519 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33
ITGB7 P26010 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33

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
SCHEMBL8074144 0.87 ACMSD (0.40) AKR1C3AKR1C2FFAR1PTGS2PDCD1
SCHEMBL8075216 0.87 ACMSD (0.40) AKR1C3AKR1C2FFAR1PTGS2PDCD1
SCHEMBL8075087 0.87 DCLRE1B (0.51) DCLRE1BFFAR1PTGS2
SCHEMBL8073879 0.87 DCLRE1B (0.51) DCLRE1BFFAR1PTGS2
SCHEMBL8073803 0.85 SLC1A3 (0.39) DCLRE1BAKR1C3AKR1C2PTGS2SLC1A3
SCHEMBL8078295 0.85 SLC1A3 (0.39) DCLRE1BAKR1C3AKR1C2PTGS2SLC1A3
SCHEMBL8075538 0.84 DCLRE1B (0.39) DCLRE1BPTGS2SLC1A3SLC1A2SLC1A1
SCHEMBL8064541 0.84 DCLRE1B (0.39) DCLRE1BPTGS2SLC1A3SLC1A2SLC1A1
SCHEMBL8075742 0.83 DCLRE1B (0.40) DCLRE1BFFAR1PTGS2ITGB2ICAM1
SCHEMBL8079616 0.82 MEN1 (0.42) TTRAKR1C3AKR1C2PTGS2MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999034790-A1 GLYCINE TRANSPORT INHIBITORS ALLELIX NEUROSCIENCE, INC. (US) 1999-07-15 WO claimed
US-6166072-A Amino acid derivatives ALLELIX NEUROSCIENCE, INC. (CA) 2000-12-26 US disclosed
WO-1999034790-A1 GLYCINE TRANSPORT INHIBITORS ALLELIX NEUROSCIENCE, INC. (US) 1999-07-15 WO disclosed