SCHEMBL10652157

SCHEMBL10652157

O=C(C=Cc1ccccc1)N[C@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 7/20 0.78
PPARG P37231 1/20 0.73
NOS3 P29474 4/20 0.63
NOS1 P29475 4/20 0.63
ALDH1A1 P00352 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
MAPK1 P28482 1/20 0.58
CYP2C19 P33261 1/20 0.58
MMP1 P03956 2/20 0.56
MMP2 P08253 2/20 0.56
MMP9 P14780 2/20 0.56
PTPN2 P17706 1/20 0.56
PTPN1 P18031 1/20 0.56
CDC25B P30305 1/20 0.56
CAPN1 P07384 1/20 0.54
MME P08473 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
POLB P06746 1/20 0.54

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
SCHEMBL12761017 1.00 NOS2 (0.78) NOS2PPARGNOS3NOS1ALDH1A1
SCHEMBL10652151 1.00 NOS2 (0.78) NOS2PPARGNOS3NOS1ALDH1A1
SCHEMBL12761015 1.00 NOS2 (0.78) NOS2PPARGNOS3NOS1ALDH1A1
SCHEMBL10725101 1.00 NOS2 (0.78) NOS2PPARGNOS3NOS1ALDH1A1
SCHEMBL10725102 1.00 NOS2 (0.78) NOS2PPARGNOS3NOS1ALDH1A1
SCHEMBL1558517 0.92 NOS2 (0.75) NOS2PPARGNOS3NOS1MMP1
SCHEMBL21996039 0.92 NOS2 (0.75) NOS2PPARGNOS3NOS1MMP1
SCHEMBL21996040 0.92 NOS2 (0.75) NOS2PPARGNOS3NOS1MMP1
SCHEMBL21996042 0.92 NOS2 (0.75) NOS2PPARGNOS3NOS1MMP1
SCHEMBL1558521 0.92 NOS2 (0.75) NOS2PPARGNOS3NOS1MMP1

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-4774259-A ABSORPTION OF INSULIN IN INTESTINES FOR ADMINISTERING BY MOUTH AJINOMOTO CO., INC. (JP) 1988-09-27 US disclosed