SCHEMBL8450271

SCHEMBL8450271

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

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MME P08473 6/20 0.49
ACE P12821 5/20 0.49
MMEL1 Q495T6 1/20 0.47
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
PPARG P37231 3/20 0.41
PPARD Q03181 2/20 0.41
FFAR4 Q5NUL3 2/20 0.41
PPARA Q07869 1/20 0.40
NLRP3 Q96P20 2/20 0.40
HDAC1 Q13547 4/20 0.39
HDAC6 Q9UBN7 4/20 0.39
CTSB P07858 1/20 0.39

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
SCHEMBL8451250 0.92 MME (0.45) MMEACEMMEL1RXRARXRB
SCHEMBL8027621 0.90 MME (0.65) MMEACEMMEL1PPARGPPARD
SCHEMBL8523126 0.90 MME (0.65) MMEACEMMEL1PPARGPPARD
SCHEMBL8027626 0.90 MME (0.65) MMEACEMMEL1PPARGPPARD
SCHEMBL7567439 0.89 MME (0.55) MMEACEMMEL1PPARGPPARD
SCHEMBL8450134 0.89 MMEL1 (0.48) MMEACEMMEL1RXRARXRB
SCHEMBL8027609 0.87 MME (0.66) MMEACEMMEL1PPARGPPARD
SCHEMBL8451433 0.86 MME (0.49) MMEACEMMEL1PPARGPPARD
SCHEMBL7569417 0.86 MME (0.56) MMEACEMMEL1PPARGPPARD
SCHEMBL7569408 0.86 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