SCHEMBL8453091

SCHEMBL8453091

CC(C)CN(CC(CCc1ccccc1)C(=O)OCc1ccccc1)C(=O)NC(Cc1cccc(-c2ccccc2)c1)C(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MME P08473 8/20 0.48
ACE P12821 7/20 0.48
PTGES O14684 2/20 0.46
POLB P06746 1/20 0.43
TACR1 P25103 1/20 0.42
CTSB P07858 1/20 0.41
MBTPS1 Q14703 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MMP3 P08254 3/20 0.40
MMP1 P03956 2/20 0.40
CPA1 P15085 1/20 0.40
ACE2 Q9BYF1 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
SCHEMBL7573628 0.95 MME (0.55) MMEACEPTGESCPA1ACE2
SCHEMBL7573635 0.95 MME (0.55) MMEACEPTGESCPA1ACE2
SCHEMBL8450243 0.93 MME (0.57) MMEACEPOLBTACR1CTSB
SCHEMBL8447122 0.93 MME (0.57) MMEACEPOLBTACR1CTSB
SCHEMBL8450109 0.91 MME (0.52) MMEACETACR1CTSBMMP3
SCHEMBL8446494 0.90 MME (0.53) MMEACEPOLBTACR1CTSB
SCHEMBL8451243 0.90 MME (0.53) MMEACEPOLBTACR1CTSB
SCHEMBL8452660 0.89 MME (0.52) MMEACEPOLBTACR1CTSB
SCHEMBL8449902 0.89 MME (0.58) MMEACETACR1CTSBMBTPS1
SCHEMBL7568928 0.89 MME (0.64) MMEACEMMP3CPA1ACE2

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