SCHEMBL7568871

SCHEMBL7568871

COc1ccc2ccccc2c1C[C@H](NC(=O)N(CCC(=O)O)CC(C)C)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MME P08473 8/20 0.55
ACE P12821 7/20 0.55
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LPAR1 Q92633 2/20 0.42

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
SCHEMBL7574571 0.89 MME (0.49) MMEACEMEN1KMT2ALPAR1
SCHEMBL7566349 0.86 MME (0.57) MMEACEMEN1KMT2A
SCHEMBL7568978 0.82 MME (0.78) MMEACEMEN1KMT2A
SCHEMBL8669828 0.80 KMT2A (0.49) MEN1KMT2A
SCHEMBL7568214 0.77 MME (0.81) MMEACE
SCHEMBL7567122 0.77 MME (0.81) MMEACE
SCHEMBL7567634 0.77 MME (0.49) MMEACEMEN1KMT2A
SCHEMBL7568168 0.77 MME (0.60) MMEACEMEN1KMT2A
SCHEMBL7567517 0.74 MME (0.77) MMEACE
SCHEMBL7568906 0.74 MME (0.77) MMEACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0798291-B1 NOVEL 1,3-DIALKYLUREA DERIVATIVES SANTEN PHARMACEUTICAL CO LTD (JP) 2002-09-11 EP disclosed
US-5968980-A ENDOPEPTIDASE 24.11 INHIBITORS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1999-10-19 US disclosed
EP-0798291-A1 NOVEL 1,3-DIALKYLUREA DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 1997-10-01 EP disclosed