SCHEMBL8449727

SCHEMBL8449727

CC(C)CN(CC(CCc1ccccc1)C(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)Oc1ccc2c(c1)CCC2

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.45
ACE P12821 4/20 0.45
MMEL1 Q495T6 1/20 0.39
MMP3 P08254 4/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
FFAR4 Q5NUL3 2/20 0.38
NLRP3 Q96P20 2/20 0.37
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
GPR34 Q9UPC5 2/20 0.36

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
SCHEMBL8447130 0.97 MME (0.45) MMEACEMMEL1MMP3RXRA
SCHEMBL8451433 0.93 MME (0.49) MMEACEMMEL1MMP3FFAR4
SCHEMBL8447126 0.93 MME (0.46) MMEACEMMEL1NLRP3PPARG
SCHEMBL7574128 0.92 MME (0.53) MMEACEMMEL1MMP3PPARG
SCHEMBL7570073 0.92 MME (0.53) MMEACEMMEL1MMP3PPARG
SCHEMBL8450828 0.91 MME (0.47) MMEACEMMEL1NLRP3PPARG
SCHEMBL8449499 0.91 MME (0.49) MMEACERXRARXRBRXRG
SCHEMBL8449910 0.87 MME (0.46) MMEACEMMEL1NLRP3PPARG
SCHEMBL8451250 0.86 MME (0.45) MMEACEMMEL1RXRARXRB
SCHEMBL7566387 0.86 MME (0.55) MMEACEMMEL1PPARGPPARD

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