SCHEMBL8078804

SCHEMBL8078804

CCc1ccc(-c2cccc(C(F)(F)F)c2)cc1CC.CN[C@H](CS)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 4/20 0.46
SLC1A2 P43004 4/20 0.46
SLC1A1 P43005 4/20 0.46
KIFC1 Q9BW19 5/20 0.45
KIF11 P52732 1/20 0.43
TP53 P04637 1/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
GPR34 Q9UPC5 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
MME P08473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
MCL1 Q07820 1/20 0.39
S1PR5 Q9H228 1/20 0.39
BACE1 P56817 1/20 0.39

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
SCHEMBL8074686 0.91 PSEN1 (0.42) SLC1A3SLC1A2SLC1A1KIFC1KIF11
SCHEMBL8065580 0.85 AKR1C3 (0.45) AKR1C3AKR1C2
SCHEMBL8075087 0.85 DCLRE1B (0.51) MMP2MMP3GPR34MME
SCHEMBL8073879 0.85 DCLRE1B (0.51) MMP2MMP3GPR34MME
SCHEMBL8080154 0.82 PPARG (0.41) AKR1C3AKR1C2MME
SCHEMBL8064541 0.82 DCLRE1B (0.39) SLC1A3SLC1A2SLC1A1MMP2MMP3
SCHEMBL8075538 0.82 DCLRE1B (0.39) SLC1A3SLC1A2SLC1A1MMP2MMP3
SCHEMBL8078431 0.81 TTR (0.38) SLC1A3SLC1A2SLC1A1AKR1C3AKR1C2
SCHEMBL8073803 0.81 SLC1A3 (0.39) SLC1A3SLC1A2SLC1A1AKR1C3AKR1C2
SCHEMBL8078295 0.81 SLC1A3 (0.39) SLC1A3SLC1A2SLC1A1AKR1C3AKR1C2

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-6166072-A Amino acid derivatives ALLELIX NEUROSCIENCE, INC. (CA) 2000-12-26 US disclosed