SCHEMBL8447126

SCHEMBL8447126

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MME P08473 6/20 0.46
ACE P12821 5/20 0.46
MMEL1 Q495T6 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NLRP3 Q96P20 2/20 0.38
TACR1 P25103 1/20 0.37
PPARG P37231 3/20 0.37
PPARD Q03181 2/20 0.37
GPR34 Q9UPC5 2/20 0.37
CTSB P07858 1/20 0.37
MBTPS1 Q14703 1/20 0.36
POLB P06746 1/20 0.36
PPARA Q07869 1/20 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 0.95 MME (0.45) MMEACEMMEL1MEN1KMT2A
SCHEMBL8450828 0.95 MME (0.47) MMEACEMMEL1MEN1KMT2A
SCHEMBL8449727 0.93 MME (0.45) MMEACEMMEL1NLRP3PPARG
SCHEMBL7566393 0.92 MME (0.55) MMEACEMMEL1PPARGPPARD
SCHEMBL7566387 0.92 MME (0.55) MMEACEMMEL1PPARGPPARD
SCHEMBL8449910 0.89 MME (0.46) MMEACEMMEL1MEN1KMT2A
SCHEMBL8449499 0.89 MME (0.49) MMEACETACR1CTSB
SCHEMBL7574128 0.89 MME (0.53) MMEACEMMEL1PPARGPPARD
SCHEMBL7570073 0.89 MME (0.53) MMEACEMMEL1PPARGPPARD
SCHEMBL7569417 0.88 MME (0.56) 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