SCHEMBL27565002

SCHEMBL27565002

NC(c1ccccc1)[C@@H](C(=O)O)C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 4/20 0.47
SLC1A3 P43003 3/20 0.47
KMT2A Q03164 3/20 0.47
SLC1A2 P43004 2/20 0.47
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SLC15A1 P46059 2/20 0.45
LTA4H P09960 1/20 0.45
LAP3 P28838 1/20 0.45
ALPI P09923 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL27542790 1.00 SLC1A1 (0.47) SLC1A1SLC1A3KMT2ASLC1A2MEN1
SCHEMBL27942933 0.92 LMNA (0.50) SLC1A1SLC1A3KMT2ASLC1A2MEN1
SCHEMBL11144069 0.85 RAB9A (0.52) ALDH1A1TDP1
SCHEMBL8701974 0.85 ALDH1A1 (0.50) SLC1A1SLC1A3KMT2ASLC1A2MEN1
SCHEMBL27656879 0.85 ALDH1A1 (0.52) SLC1A1SLC1A3KMT2ASLC1A2MEN1
SCHEMBL27591574 0.85 ALDH1A1 (0.52) SLC1A1SLC1A3KMT2ASLC1A2MEN1
SCHEMBL27691295 0.84 LTA4H (0.42) SLC1A1SLC1A3KMT2ASLC1A2MEN1
SCHEMBL7669860 0.83 SLC1A1 (0.58) SLC1A1SLC1A3KMT2ASLC1A2MEN1
SCHEMBL27628195 0.83 ALDH1A1 (0.50) SLC1A1SLC1A3KMT2ASLC1A2MEN1
SCHEMBL9110890 0.83 ALDH1A1 (0.50) SLC1A1SLC1A3KMT2ASLC1A2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1253442-C Novel thiazine and pyrazine derivatives SANTEN PHARMACEUTICAL CO LTD (JP) 2006-04-26 CN disclosed
CN-1372553-A Novel thiazine or pyrazine derivatives SANTEN PHARMACEUTICAL CO LTD (JP) 2002-10-02 CN disclosed