SCHEMBL8450134

SCHEMBL8450134

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

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMEL1 Q495T6 1/20 0.48
MME P08473 5/20 0.45
ACE P12821 5/20 0.45
CTSB P07858 1/20 0.41
POLB P06746 1/20 0.39
NLRP3 Q96P20 2/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
TACR1 P25103 1/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
GPR34 Q9UPC5 2/20 0.38
MBTPS1 Q14703 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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 0.94 MME (0.45) MMEL1MMEACECTSBNLRP3
SCHEMBL7567439 0.91 MME (0.55) MMEL1MMEACEPPARGPPARD
SCHEMBL8450828 0.89 MME (0.47) MMEL1MMEACECTSBPOLB
SCHEMBL8450271 0.89 MME (0.49) MMEL1MMEACECTSBNLRP3
SCHEMBL8449910 0.88 MME (0.46) MMEL1MMEACECTSBPOLB
SCHEMBL8447126 0.88 MME (0.46) MMEL1MMEACECTSBPOLB
SCHEMBL8447130 0.86 MME (0.45) MMEL1MMEACENLRP3RXRA
SCHEMBL8449727 0.85 MME (0.45) MMEL1MMEACENLRP3RXRA
SCHEMBL8452063 0.84 MME (0.57) MMEACECTSBPOLBTACR1
SCHEMBL8451194 0.84 MME (0.57) MMEACECTSBPOLBTACR1

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