SCHEMBL8446381

SCHEMBL8446381

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

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MME P08473 8/20 0.62
ACE P12821 6/20 0.62
CTSB P07858 1/20 0.48
TACR1 P25103 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MBTPS1 Q14703 1/20 0.45
POLB P06746 1/20 0.45
ALDH1A1 P00352 1/20 0.44
THRB P10828 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CTSL P07711 1/20 0.43
CTSK P43235 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
SCHEMBL7565205 0.95 MME (0.70) MMEACECTSB
SCHEMBL7565208 0.95 MME (0.70) MMEACECTSB
SCHEMBL8447177 0.90 MME (0.62) MMEACECTSBTACR1MEN1
SCHEMBL8446466 0.89 MME (0.59) MMEACECTSBTACR1MEN1
SCHEMBL8450800 0.89 MME (0.59) MMEACECTSBTACR1MEN1
SCHEMBL8446404 0.89 MME (0.59) MMEACECTSBTACR1MEN1
SCHEMBL27442633 0.89 MME (0.67) MMEACECTSBTACR1MEN1
SCHEMBL8446409 0.88 MME (0.60) MMEACECTSBTACR1MEN1
SCHEMBL8451282 0.88 MME (0.58) MMEACECTSBTACR1MEN1
SCHEMBL27446784 0.88 MME (0.66) MMEACECTSBTACR1MEN1

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