SCHEMBL9619043

SCHEMBL9619043

CCN(CC(=O)[O-])CC(=O)[O-].[Ba+2]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
KDM4E B2RXH2 2/20 0.44
ALOX15 P16050 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
FFAR3 O14843 2/20 0.39
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
BBOX1 O75936 2/20 0.37
CA1 P00915 1/20 0.35
CA4 P22748 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
ALDH1A1 P00352 3/20 0.32
SLC6A9 P48067 1/20 0.32
AGTR1 P30556 1/20 0.31

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
SCHEMBL77672 0.89 MAPT (0.50) MAPTKDM4EALOX15SMN1; SMN2FFAR3
Potassium Ion SCHEMBL3894341 0.89 MAPT (0.44) MAPTKDM4EALOX15SMN1; SMN2FFAR3
SCHEMBL11337925 0.84 KDM4E (0.47) MAPTKDM4EALOX15SMN1; SMN2FFAR3
Nitrilotriacetic Acid SCHEMBL23358712 0.82 KDM4E (0.52) MAPTKDM4EALOX15SMN1; SMN2FFAR3
SCHEMBL20446674 0.80 KDM4E (0.44) MAPTKDM4EALOX15SMN1; SMN2FFAR3
SCHEMBL30689662 0.79 KDM4E (0.69) MAPTKDM4EALOX15SMN1; SMN2FFAR3
Edetic Acid SCHEMBL6766678 0.77 KDM4E (0.68) MAPTKDM4EALOX15SMN1; SMN2FFAR3
Nitrilotriacetic Acid SCHEMBL10985194 0.76 KDM4E (0.54) MAPTKDM4EALOX15SMN1; SMN2FFAR3
Nitrilotriacetic Acid SCHEMBL10890157 0.76 KDM4E (0.52) MAPTKDM4EALOX15SMN1; SMN2FFAR3
Nitrilotriacetic Acid SCHEMBL1284701 0.76 KDM4E (0.59) MAPTKDM4EALOX15SMN1; SMN2FFAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5132323-A Treatment of animals BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1992-07-21 US disclosed
EP-0333756-B1 1,2-DIAMINOCYCLOHEXANE-PLATINUM COMPLEXES WITH ANTITUMOR ACTIVITY BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1992-01-15 EP disclosed
US-5011959-A 1,2-diaminocyclohexane-platinum complexes with antitumor activity THE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1991-04-30 US disclosed
EP-0333756-A1 1,2-DIAMINOCYCLOHEXANE-PLATINUM COMPLEXES WITH ANTITUMOR ACTIVITY. UNIV TEXAS (US) 1989-09-27 EP disclosed
WO-1988003925-A1 1,2-DIAMINOCYCLOHEXANE-PLATINUM COMPLEXES WITH ANTITUMOR ACTIVITY BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1988-06-02 WO disclosed