SCHEMBL7337461

SCHEMBL7337461

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 5/20 0.57
MMP9 P14780 4/20 0.57
MMP2 P08253 3/20 0.57
IL1RN P18510 1/20 0.56
ERAP2 Q6P179 1/20 0.56
ERAP1 Q9NZ08 1/20 0.56
CTSS P25774 2/20 0.51
CTSK P43235 1/20 0.51
PSMB1 P20618 2/20 0.50
PSMB5 P28074 2/20 0.50
REN P00797 1/20 0.50
CA5A P35218 1/20 0.50
MME P08473 1/20 0.50
ACE P12821 1/20 0.50
CPA1 P15085 1/20 0.50
ACE2 Q9BYF1 1/20 0.50
PSMB2 P49721 1/20 0.50
PSMB8 P28062 1/20 0.49
PSMB9 P28065 1/20 0.49
CTSL P07711 1/20 0.49

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
SCHEMBL7345744 0.90 REN (0.57) MMP8MMP9IL1RNERAP2ERAP1
SCHEMBL7341943 0.90 CTSS (0.53) MMP8MMP9IL1RNERAP2ERAP1
SCHEMBL7341971 0.88 REN (0.55) MMP8MMP9IL1RNERAP2ERAP1
SCHEMBL7337028 0.88 PSMB1 (0.58) MMP8MMP9MMP2IL1RNERAP2
SCHEMBL7346203 0.87 CTSS (0.53) MMP8MMP9IL1RNERAP2ERAP1
SCHEMBL7338161 0.87 CTSS (0.51) MMP8MMP9IL1RNERAP2ERAP1
SCHEMBL7342700 0.87 CTSS (0.47) MMP8MMP9IL1RNERAP2ERAP1
SCHEMBL7340618 0.86 CTSS (0.50) MMP8MMP9IL1RNERAP2ERAP1
SCHEMBL7342769 0.86 PLG (0.64) RENMMEACECPA1ACE2
SCHEMBL7340564 0.86 CTSS (0.52) MMP8MMP9IL1RNERAP2ERAP1

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