SCHEMBL8447129

SCHEMBL8447129

CC(C)CC[C@@H](CN(CC(C)C)C(=O)N[C@H](C(=O)O)C(Cc1ccccc1)c1ccc(-c2ccccc2)cc1)C(=O)Oc1ccc2c(c1)CCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.41
ACE P12821 3/20 0.41
MMEL1 Q495T6 1/20 0.39
PPARG P37231 4/20 0.36
PPARD Q03181 3/20 0.36
FDFT1 P37268 2/20 0.35
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34
NLRP3 Q96P20 2/20 0.33
MCHR1 Q99705 1/20 0.33
PPARA Q07869 1/20 0.33
PTGES O14684 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPK14 Q16539 1/20 0.33

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
SCHEMBL8447132 0.96 MME (0.40) MMEACEMMEL1PPARGPPARD
SCHEMBL8450833 0.95 MME (0.42) MMEACEMMEL1PPARGPPARD
SCHEMBL8449504 0.88 MME (0.40) MMEACEMMEL1PPARGPPARD
SCHEMBL8449913 0.88 MME (0.40) MMEACEMMEL1PPARGPPARD
SCHEMBL7566387 0.88 MME (0.55) MMEACEMMEL1PPARGPPARD
SCHEMBL7566393 0.88 MME (0.55) MMEACEMMEL1PPARGPPARD
SCHEMBL8450138 0.87 MMEL1 (0.47) MMEACEMMEL1PPARGPPARD
SCHEMBL8447126 0.85 MME (0.46) MMEACEMMEL1PPARGPPARD
SCHEMBL7574128 0.84 MME (0.53) MMEACEMMEL1PPARGPPARD
SCHEMBL7570073 0.84 MME (0.53) 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