SCHEMBL8074686

SCHEMBL8074686

CCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1CC.CN[C@H](CS)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
ACE P12821 1/20 0.41
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP7 P09237 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
KIFC1 Q9BW19 2/20 0.38
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38

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
SCHEMBL8078804 0.91 SLC1A3 (0.46) MMP2MMP3KIFC1SLC1A3SLC1A2
SCHEMBL8065580 0.87 AKR1C3 (0.45) PPARDPPARAFFAR1AKR1C3AKR1C2
SCHEMBL8064541 0.86 DCLRE1B (0.39) ACEMMP1MMP2MMP3MMP7
SCHEMBL8075538 0.86 DCLRE1B (0.39) ACEMMP1MMP2MMP3MMP7
SCHEMBL8073803 0.83 SLC1A3 (0.39) ACESLC1A3SLC1A2SLC1A1AKR1C3
SCHEMBL8075742 0.83 DCLRE1B (0.40) ACEMMP1MMP2MMP3MMP7
SCHEMBL8078295 0.83 SLC1A3 (0.39) ACESLC1A3SLC1A2SLC1A1AKR1C3
SCHEMBL8075087 0.82 DCLRE1B (0.51) MMP1MMP2MMP3MMP7MMP9
SCHEMBL8073879 0.82 DCLRE1B (0.51) MMP1MMP2MMP3MMP7MMP9
SCHEMBL8080154 0.82 PPARG (0.41) PPARAFFAR1AKR1C3AKR1C2

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