SCHEMBL8451250

SCHEMBL8451250

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.45
ACE P12821 4/20 0.45
MMEL1 Q495T6 1/20 0.44
CTSB P07858 1/20 0.41
NLRP3 Q96P20 2/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
PPARG P37231 3/20 0.38
PPARD Q03181 2/20 0.38
GPR34 Q9UPC5 2/20 0.38
PPARA Q07869 1/20 0.37
MMP1 P03956 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 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
SCHEMBL8450134 0.94 MMEL1 (0.48) MMEACEMMEL1CTSBNLRP3
SCHEMBL8450271 0.92 MME (0.49) MMEACEMMEL1CTSBNLRP3
SCHEMBL7567439 0.88 MME (0.55) MMEACEMMEL1PPARGPPARD
SCHEMBL8450828 0.88 MME (0.47) MMEACEMMEL1CTSBNLRP3
SCHEMBL8449727 0.86 MME (0.45) MMEACEMMEL1NLRP3RXRA
SCHEMBL8449910 0.86 MME (0.46) MMEACEMMEL1CTSBNLRP3
SCHEMBL8447126 0.86 MME (0.46) MMEACEMMEL1CTSBNLRP3
SCHEMBL8523126 0.85 MME (0.65) MMEACEMMEL1PPARGPPARD
SCHEMBL8027626 0.85 MME (0.65) MMEACEMMEL1PPARGPPARD
SCHEMBL8027621 0.85 MME (0.65) 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