SCHEMBL8678564

SCHEMBL8678564

CC(N[C@@H](CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC15A1 P46059 2/20 0.51
MMP9 P14780 1/20 0.51
ALDH1A1 P00352 3/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ABCB1 P08183 1/20 0.43
CAPN1 P07384 1/20 0.42
CTSK P43235 3/20 0.42
TACR1 P25103 1/20 0.42
CASP1 P29466 1/20 0.42
GAA P10253 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41

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
SCHEMBL10735346 0.86 KMT2A (0.48) SLC15A1ALDH1A1CAPN1CTSKTACR1
SCHEMBL7480563 0.86 CTSK (0.49) ALDH1A1CAPN1CTSKTACR1
SCHEMBL14102964 0.84 ALDH1A1 (0.51) SLC15A1MMP9ALDH1A1MAPK1L3MBTL1
SCHEMBL10834892 0.83 ACE (0.51)
SCHEMBL7270101 0.83 ACE (0.51)
SCHEMBL25454647 0.83 SLC15A1 (0.53) SLC15A1MMP9ALDH1A1MAPK1L3MBTL1
SCHEMBL7753516 0.82 ALDH1A1 (0.53) SLC15A1MMP9ALDH1A1MAPK1L3MBTL1
SCHEMBL19511367 0.82 ALDH1A1 (0.53) SLC15A1MMP9ALDH1A1MAPK1L3MBTL1
SCHEMBL7363365 0.82 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1
SCHEMBL7332996 0.82 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1

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-5763408-A TUMOR METASTASIS INHIBITORS FUJI PHOTO FILM CO., LTD. (JP) 1998-06-09 US disclosed