SCHEMBL7339686

SCHEMBL7339686

C[C@@H](C[CH]C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NC(C)(C)CO)C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.49
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MME P08473 1/20 0.46
ACE P12821 1/20 0.46
CPA1 P15085 1/20 0.46
ACE2 Q9BYF1 1/20 0.46
REN P00797 2/20 0.43
BCL2 P10415 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
YAP1 P46937 1/20 0.42
PTPN1 P18031 1/20 0.41
LTA4H P09960 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
SCHEMBL7346029 1.00 PPARG (0.49) PPARGMMP9MMP8MMEACE
SCHEMBL7338154 0.92 PPARG (0.51) PPARGMMP9MMP8MMEACE
SCHEMBL7341976 0.90 PPARG (0.47) PPARGMMP9MMP8MMEACE
SCHEMBL7346535 0.89 PPARG (0.44) PPARGMMP9MMP8MMEACE
SCHEMBL7344073 0.87 PPARG (0.62) PPARGMMP9MMP8MMEACE
SCHEMBL7345222 0.86 PPARG (0.51) PPARGMMP9MMP8MMEACE
SCHEMBL7341933 0.86 PPARG (0.50) PPARGMMP9MMP8MMEACE
SCHEMBL7338315 0.85 PPARG (0.52) PPARGMMP9MMP8MMEACE
SCHEMBL7337025 0.85 KLKB1 (0.52) PPARGMMP9MMP8MMEACE
SCHEMBL7338052 0.85 PPARG (0.49) PPARGMMP9MMP8MMEACE

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-6423689-B1 Peptidyl calcium channel blockers WARNER-LAMBERT COMPANY 2002-07-23 US disclosed