SCHEMBL27602015

SCHEMBL27602015

CC(CCCc1cccc(F)c1)CC(C)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 2/20 0.44
PTGER1 P34995 1/20 0.41
PTGFR P43088 1/20 0.41
PTGER3 P43115 1/20 0.41
CYSLTR2 Q9NS75 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.41
TAAR1 Q96RJ0 3/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
DAO P14920 1/20 0.40
HTR2B P41595 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
DRD2 P14416 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
PTAFR P25105 2/20 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
SCHEMBL3997631 0.85 GRIK1 (0.44) SLC1A1TAAR1MEN1KMT2ADAO
SCHEMBL3994149 0.85 GRIK1 (0.44) SLC1A1TAAR1MEN1KMT2ADAO
SCHEMBL3999755 0.85 GRIK1 (0.44) SLC1A1TAAR1MEN1KMT2ADAO
SCHEMBL27601868 0.84 HDAC1 (0.49) PTGER1PTGFRTAAR1MEN1KMT2A
SCHEMBL27601904 0.84 GRIK1 (0.53) KMT2APPARGPPARASLC6A3
SCHEMBL28754960 0.83 MMP3 (0.44) MEN1KMT2A
SCHEMBL27751258 0.83 SLC1A1 (0.50) SLC1A1PTGER1PTGFRPTGER3TAAR1
SCHEMBL5983801 0.82 SLC1A1 (0.43) SLC1A1PTGER1PTGFRPTGER3TAAR1
SCHEMBL5983061 0.82 SLC1A1 (0.43) SLC1A1PTGER1PTGFRPTGER3TAAR1
SCHEMBL3959594 0.82 SLC1A1 (0.43) SLC1A1PTGER1PTGFRPTGER3TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1817854-A Amino acids with affinity for the alpha-2-delta protein WARNER LAMBERT CO (US) 2006-08-16 CN claimed
CN-100462351-C Amino acids having affinity for the alpha 2 delta protein WARNER LAMBERT CO (US) 2009-02-18 CN disclosed
CN-1856301-A Curable beta-amino acid WARNER LAMBERT CO (US) 2006-11-01 CN disclosed
CN-1817854-A Amino acids with affinity for the alpha-2-delta protein WARNER LAMBERT CO (US) 2006-08-16 CN disclosed
CN-1653036-A Amino acids having affinity for the alpha 2 delta protein WARNER LAMBERT CO (US) 2005-08-10 CN disclosed