SCHEMBL8450800

SCHEMBL8450800

CC(C)CN(CC(OCc1ccccc1)C(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.59
ACE P12821 5/20 0.59
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CTSB P07858 1/20 0.46
TACR1 P25103 1/20 0.44
MBTPS1 Q14703 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 4/20 0.43
S1PR1 P21453 1/20 0.43
ALDH1A1 P00352 2/20 0.42
RECQL P46063 2/20 0.42
PSMB5 P28074 1/20 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
SCHEMBL7572261 0.95 MME (0.66) MMEACECTSB
SCHEMBL7572256 0.95 MME (0.66) MMEACECTSB
SCHEMBL8446470 0.94 ACE (0.57) MMEACEMEN1KMT2ACTSB
SCHEMBL8449672 0.93 MME (0.56) MMEACEMEN1KMT2ACTSB
SCHEMBL8446404 0.92 MME (0.59) MMEACEMEN1KMT2ACTSB
SCHEMBL8446420 0.91 MME (0.50) MMEACEMEN1KMT2ACTSB
SCHEMBL8447085 0.90 MME (0.51) MMEACEMEN1KMT2ACTSB
SCHEMBL7572811 0.89 MME (0.64) MMEACECTSB
SCHEMBL7572808 0.89 MME (0.64) MMEACECTSB
SCHEMBL8446381 0.89 MME (0.62) MMEACEMEN1KMT2ACTSB

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-5968980-A ENDOPEPTIDASE 24.11 INHIBITORS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1999-10-19 US disclosed