SCHEMBL8453051

SCHEMBL8453051

CC(C)CN(CC(CCc1ccccc1)C(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(-c2cccc3ccccc23)cc1)C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MME P08473 6/20 0.47
ACE P12821 5/20 0.47
MMP3 P08254 3/20 0.41
MMP2 P08253 1/20 0.41
PPARG P37231 3/20 0.40
PPARA Q07869 3/20 0.40
TACR1 P25103 2/20 0.39
CTSB P07858 1/20 0.39
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
PTPN1 P18031 1/20 0.37

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
SCHEMBL7568400 0.96 MME (0.52) MMEACEMMP3MMP2PPARG
SCHEMBL7568408 0.96 MME (0.52) MMEACEMMP3MMP2PPARG
SCHEMBL8452660 0.93 MME (0.52) MMEACEMMP3TACR1CTSB
SCHEMBL8450243 0.90 MME (0.57) MMEACEMMP3TACR1CTSB
SCHEMBL8447122 0.90 MME (0.57) MMEACEMMP3TACR1CTSB
SCHEMBL27441332 0.89 MME (0.57) MMEACEPPARGPPARATACR1
SCHEMBL8446385 0.88 MME (0.60) MMEACEMMP2TACR1CTSB
SCHEMBL7570079 0.88 MME (0.58) MMEACEMMP3CTSB
SCHEMBL8450109 0.88 MME (0.52) MMEACEMMP3MMP2TACR1
SCHEMBL7569082 0.88 MME (0.57) MMEACEMMP3MMP2PPARG

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