SCHEMBL7337451

SCHEMBL7337451

CC(C[CH]C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)NCCc1ccc(O)cc1)C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.48
MMP9 P14780 2/20 0.46
MMP8 P22894 2/20 0.46
MMP2 P08253 1/20 0.46
PLG P00747 1/20 0.46
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
PSMB1 P20618 1/20 0.46
PSMB8 P28062 1/20 0.46
PSMB9 P28065 1/20 0.46
PSMB5 P28074 1/20 0.46
REN P00797 1/20 0.45
CHRNA1 P02708 2/20 0.45
CHRNG P07510 2/20 0.45
CHRNB1 P11230 2/20 0.45
CHRND Q07001 2/20 0.45
MME P08473 1/20 0.45
ACE P12821 1/20 0.45
CPA1 P15085 1/20 0.45

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
SCHEMBL7345736 0.90 REN (0.51) PPARGMMP9MMP8PLGPRSS1
SCHEMBL7341933 0.90 PPARG (0.50) PPARGMMP9MMP8PLGPRSS1
SCHEMBL7341957 0.89 PLG (0.50) PPARGMMP9MMP8PLGPRSS1
SCHEMBL7337025 0.88 KLKB1 (0.52) PPARGMMP9MMP8PSMB1PSMB8
SCHEMBL7346201 0.88 PPARG (0.48) PPARGMMP9MMP8PLGPRSS1
SCHEMBL7338155 0.88 PPARG (0.48) PPARGMMP9MMP8PLGPRSS1
SCHEMBL7342696 0.88 PPARG (0.45) PPARGMMP9MMP8PLGPRSS1
SCHEMBL7340612 0.87 PPARG (0.47) PPARGMMP9MMP8PLGPRSS1
SCHEMBL7340559 0.87 PPARG (0.47) PPARGMMP9MMP8PLGPRSS1
SCHEMBL7342765 0.87 PLG (0.61) PLGPRSS1PRSS2PRSS3REN

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 2 patents. claimed = in the patent's claims; disclosed = body only.

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