SCHEMBL8448377

SCHEMBL8448377

CC(C)CN(CC(O)C(=O)O)C(=O)NC(Cc1ccccc1)C(=O)Oc1ccc2c(c1)CCC2

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MME P08473 13/20 0.57
ACE P12821 11/20 0.57
PPARG P37231 3/20 0.43
PPARD Q03181 3/20 0.43
NLRP3 Q96P20 2/20 0.42
PPARA Q07869 1/20 0.41

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
SCHEMBL8030949 1.00 MME (0.57) MMEACEPPARGPPARDNLRP3
SCHEMBL8030944 1.00 MME (0.57) MMEACEPPARGPPARDNLRP3
SCHEMBL8027621 0.96 MME (0.65) MMEACEPPARGPPARDPPARA
SCHEMBL8027626 0.96 MME (0.65) MMEACEPPARGPPARDPPARA
SCHEMBL8523126 0.96 MME (0.65) MMEACEPPARGPPARDPPARA
SCHEMBL8017292 0.94 MME (0.58) MMEACEPPARGPPARDNLRP3
SCHEMBL8017295 0.94 MME (0.58) MMEACEPPARGPPARDNLRP3
SCHEMBL8017254 0.93 MME (0.69) MMEACEPPARGPPARD
SCHEMBL8447724 0.93 MME (0.69) MMEACEPPARGPPARD
SCHEMBL8521923 0.91 MME (0.60) MMEACEPPARGPPARD

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-5891912-A ENDOPEPTIDASE 24.11 INHIBITORS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1999-04-06 US disclosed