SCHEMBL8446385

SCHEMBL8446385

CC(C)CN(CC(CCc1ccccc1)C(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 8/20 0.60
ACE P12821 7/20 0.60
TACR1 P25103 1/20 0.51
HRH4 Q9H3N8 1/20 0.43
KMT2A Q03164 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
REN P00797 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP14 P50281 1/20 0.40
CPA1 P15085 1/20 0.40
ACE2 Q9BYF1 1/20 0.40
CASP1 P29466 1/20 0.40
CASP3 P42574 1/20 0.40
NMBR P28336 1/20 0.40
CTSB P07858 1/20 0.40

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
SCHEMBL7572248 0.96 MME (0.66) MMEACETACR1HRH4KMT2A
SCHEMBL7572242 0.96 MME (0.66) MMEACETACR1HRH4KMT2A
SCHEMBL8453051 0.88 MME (0.47) MMEACETACR1KMT2AKDM4E
SCHEMBL7567827 0.87 MME (0.73) MMEACEHRH4KMT2ASIGMAR1
SCHEMBL7567832 0.87 MME (0.73) MMEACEHRH4KMT2ASIGMAR1
SCHEMBL8453091 0.86 MME (0.48) MMEACETACR1KMT2ACPA1
SCHEMBL7568400 0.86 MME (0.52) MMEACEKMT2AMMP2CPA1
SCHEMBL7568408 0.86 MME (0.52) MMEACEKMT2AMMP2CPA1
SCHEMBL27464501 0.86 MME (0.68) MMEACETACR1HRH4REN
SCHEMBL27464096 0.86 MME (0.68) MMEACETACR1HRH4REN

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