SCHEMBL7271561

SCHEMBL7271561

CC(C)C(=O)N(C)CCN(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP14 P50281 1/20 0.50
MME P08473 6/20 0.49
PSMB1 P20618 1/20 0.48
PSMB5 P28074 1/20 0.48
PSMB2 P49721 1/20 0.48
CPA1 P15085 2/20 0.48
ACE2 Q9BYF1 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
LMNA P02545 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA9 Q16790 1/20 0.46
PTPN1 P18031 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
FPR2 P25090 3/20 0.46

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
SCHEMBL7281772 0.87 TACR1 (0.50) ACEMMP9MMP8MMP14
SCHEMBL6895655 0.85 ITGA4 (0.54) ACEMMEPSMB1PSMB5PSMB2
SCHEMBL9068639 0.82 ALDH1A1 (0.53) MMEPSMB1PSMB5PSMB2LMNA
SCHEMBL7283853 0.82 ALDH1A1 (0.53) MMEPSMB1PSMB5PSMB2LMNA
SCHEMBL7282932 0.82 ALDH1A1 (0.53) MMEPSMB1PSMB5PSMB2LMNA
SCHEMBL7273085 0.81 CA12 (0.52) ACEMMEPSMB1PSMB5PSMB2
SCHEMBL16195620 0.80 MME (0.58) ACEMMP9MMP8MMP14MME
SCHEMBL7283028 0.80 TACR2 (0.54) MMP8MMELMNATDP1
SCHEMBL7279559 0.80 POLB (0.46) ACEMMEPSMB1PSMB5PSMB2
SCHEMBL6891310 0.80 L3MBTL1 (0.46) ACEMMEPSMB1PSMB5PSMB2

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-5491132-A HYPOTENSIVE AGENT FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-13 US disclosed
EP-0476515-A1 New amino acid derivatives, a process for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-03-25 EP disclosed