SCHEMBL8449913

SCHEMBL8449913

CC(C)CN(C[C@H](OCc1ccccc1)C(=O)Oc1ccc2c(c1)CCC2)C(=O)N[C@H](C(=O)O)C(Cc1ccccc1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.40
ACE P12821 4/20 0.40
MMEL1 Q495T6 1/20 0.38
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
CTSB P07858 1/20 0.35
ADAMTS4 O75173 2/20 0.34
MMP13 P45452 2/20 0.34
MMP2 P08253 1/20 0.34
MMP14 P50281 1/20 0.34
ADAMTS5 Q9UNA0 1/20 0.34
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
ACACB O00763 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL8450833 0.90 MME (0.42) MMEACEMMEL1PPARGPPARD
SCHEMBL7567819 0.89 MME (0.53) MMEACEMMEL1PPARGPPARD
SCHEMBL7567828 0.89 MME (0.53) MMEACEMMEL1PPARGPPARD
SCHEMBL8447129 0.88 MME (0.41) MMEACEMMEL1KDM4EMAPT
SCHEMBL8447132 0.87 MME (0.40) MMEACEMMEL1PPARGPPARD
SCHEMBL8449910 0.87 MME (0.46) MMEACEMMEL1PPARGPPARD
SCHEMBL8450138 0.86 MMEL1 (0.47) MMEACEMMEL1KDM4EPPARG
SCHEMBL8450803 0.85 MME (0.48) MMEACECTSBACACBMEN1
SCHEMBL8447086 0.83 MME (0.44) MMEACEALDH1A1PPARGCTSB
SCHEMBL8449917 0.82 MMEL1 (0.35) MMEACEMMEL1KDM4EMAPT

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