SCHEMBL27469253

SCHEMBL27469253

CC(N)C(=O)NC(Cc1c[nH]cn1)C(=O)O.[Zn]

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 3/20 0.36
CPB2 Q96IY4 3/20 0.36
ACE P12821 2/20 0.36
CPB1 P15086 1/20 0.36
MME P08473 1/20 0.36
CPA1 P15085 1/20 0.36
ACE2 Q9BYF1 1/20 0.36

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
SCHEMBL3916119 0.99 CTRB1 (0.37) CTRB1ACEMMECPA1ACE2
SCHEMBL749821 0.99 CTRB1 (0.37) CTRB1ACEMMECPA1ACE2
SCHEMBL9665720 0.99 CTRB1 (0.37) CTRB1ACEMMECPA1ACE2
SCHEMBL17293240 0.99 CTRB1 (0.37) CTRB1ACEMMECPA1ACE2
SCHEMBL3916112 0.99 CTRB1 (0.37) CTRB1ACEMMECPA1ACE2
SCHEMBL29511173 0.99 CTRB1 (0.37) CTRB1ACEMMECPA1ACE2
SCHEMBL749822 0.99 CTRB1 (0.37) CTRB1ACEMMECPA1ACE2
SCHEMBL3810013 0.99 CTRB1 (0.37) CTRB1ACEMMECPA1ACE2
SCHEMBL4587799 0.97 CTRB1 (0.36) CTRB1ACEMMECPA1ACE2
SCHEMBL2813159 0.97 CTRB1 (0.36) CTRB1ACEMMECPA1ACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1166963-A Composition containing zinc compound and p-acetaminophenyl acetic acid XIA XIAOLIN (CN) 1997-12-10 CN claimed
CN-1166320-A Composite of zinc containing compound and glutamines XIA XIAOLIN (CN) 1997-12-03 CN claimed
CN-102060809-B Rhein derivatives and preparation and application thereof CHANGZHOU HI TECH DISTR MULTIPLE DIMENSION INDUSTRY TECHNOLOGY INST CO LTD 2015-05-20 CN disclosed
CN-101638423-B Phloridzin derivative as well as preparation method and application thereof 3D IND TECHNOLOGY RES INST CO LTD OF CHANGZHOU HIGH TECH IND DEV ZONE 2012-09-05 CN disclosed
CN-102060809-A Rhein derivatives and preparation and application thereof CHANGZHOU HI TECH DISTR MULTIPLE DIMENSION INDUSTRY TECHNOLOGY INST CO LTD 2011-05-18 CN disclosed
CN-101638423-A Phloridzin derivative as well as preparation method and application thereof 3D IND TECHNOLOGY RES I CO LTD 2010-02-03 CN disclosed
CN-1265799-C Composite of zinc containing compound and glutamines XIA XIAOLIN (CN) 2006-07-26 CN disclosed
CN-1076195-C Composition containing zinc compound and p-acetaminophenyl acetic acid XIA XIAOLIN (CN) 2001-12-19 CN disclosed
CN-1166963-A Composition containing zinc compound and p-acetaminophenyl acetic acid XIA XIAOLIN (CN) 1997-12-10 CN disclosed
CN-1166320-A Composite of zinc containing compound and glutamines XIA XIAOLIN (CN) 1997-12-03 CN disclosed