SCHEMBL28014207

SCHEMBL28014207

O=C(O)CC(CC(=O)O)c1ccc(Cl)cc1.[Cd]

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 4/20 0.76
GABBR1 Q9UBS5 4/20 0.76
CYP2C9 P11712 3/20 0.76
LMNA P02545 2/20 0.76
CYP2D6 P10635 2/20 0.76
CYP2C19 P33261 2/20 0.76
MEN1 O00255 2/20 0.76
KMT2A Q03164 2/20 0.76
CYP3A4 P08684 1/20 0.76
ADORA3 P0DMS8 1/20 0.76
NFKB1 P19838 1/20 0.76
DRD3 P35462 1/20 0.76
BLM P54132 1/20 0.76
CYP1A2 P05177 1/20 0.76
THRB P10828 1/20 0.76
TSHR P16473 1/20 0.76
FNTA P49354 4/20 0.59
FNTB P49356 4/20 0.59
HSD17B10 Q99714 1/20 0.54
FFAR1 O14842 1/20 0.50

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
SCHEMBL391659 0.98 GABBR2 (0.79) GABBR2GABBR1CYP2C9LMNACYP2D6
SCHEMBL7822991 0.89 GABBR2 (0.72) GABBR2GABBR1CYP2C9LMNACYP2D6
SCHEMBL22172484 0.89 GABBR2 (0.72) GABBR2GABBR1CYP2C9LMNACYP2D6
SCHEMBL9076600 0.88 GABBR2 (0.71) GABBR2GABBR1CYP2C9LMNACYP2D6
SCHEMBL15405894 0.88 GABBR2 (0.71) GABBR2GABBR1CYP2C9LMNACYP2D6
SCHEMBL7525502 0.88 GABBR2 (0.71) GABBR2GABBR1CYP2C9LMNACYP2D6
SCHEMBL657723 0.87 GABBR2 (0.65) GABBR2GABBR1CYP2C9LMNACYP2D6
SCHEMBL10253260 0.87 CYP2C9 (0.65) GABBR2GABBR1CYP2C9LMNACYP2D6
SCHEMBL16249736 0.87 GABBR2 (0.61) GABBR2GABBR1CYP2C9LMNACYP2D6
SCHEMBL11321913 0.86 GABBR2 (0.69) GABBR2GABBR1CYP2C9LMNACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104592007-B A kind of 3-(4-chloro-phenyl-) pentanedioic acid cadmium coordination polymer and preparation method thereof Suzhou College (CN) 2016-03-30 CN claimed
CN-104592007-A 3-(4-chlorphenyl) glutaric acid cadmium coordination polymer and preparation method thereof UNIV SUZHOU 2015-05-06 CN claimed
CN-104592007-B A kind of 3-(4-chloro-phenyl-) pentanedioic acid cadmium coordination polymer and preparation method thereof Suzhou College (CN) 2016-03-30 CN disclosed
CN-104592007-B A kind of 3-(4-chloro-phenyl-) pentanedioic acid cadmium coordination polymer and preparation method thereof Suzhou College (CN) 2016-03-30 CN disclosed
CN-104592007-B A kind of 3-(4-chloro-phenyl-) pentanedioic acid cadmium coordination polymer and preparation method thereof Suzhou College (CN) 2016-03-30 CN disclosed
CN-104592007-A 3-(4-chlorphenyl) glutaric acid cadmium coordination polymer and preparation method thereof UNIV SUZHOU 2015-05-06 CN disclosed
CN-104592007-A 3-(4-chlorphenyl) glutaric acid cadmium coordination polymer and preparation method thereof UNIV SUZHOU 2015-05-06 CN disclosed
CN-104592007-A 3-(4-chlorphenyl) glutaric acid cadmium coordination polymer and preparation method thereof UNIV SUZHOU 2015-05-06 CN disclosed