SCHEMBL3695430

SCHEMBL3695430

O=C([O-])CCC(Cl)(Cl)Cl.O=C([O-])CCC(Cl)(Cl)Cl.[Mg+2]

nearest known ligand 0.39

Known targets — ChEMBL curated mechanism

ATP4AATP4BGABBR1GABBR2HMGCR

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
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
CA1 P00915 3/20 0.35
CA4 P22748 2/20 0.33
BBOX1 O75936 3/20 0.31
CASP1 P29466 1/20 0.30

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
Hydrochloric Acid SCHEMBL5091166 0.97 FFAR3 (0.38) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL27533512 0.94 FFAR3 (0.39) FFAR3HDAC3HDAC1HDAC2HDAC8
Succinic Acid SCHEMBL66882 0.71
Succinic Acid SCHEMBL30712481 0.71 FFAR3 (0.56) FFAR3HDAC3HDAC1HDAC2HDAC8
Succinic Acid SCHEMBL22471655 0.71 FFAR3 (0.56) FFAR3HDAC3HDAC1HDAC2HDAC8
Succinic Acid SCHEMBL1335834 0.71 FFAR3 (0.56) FFAR3HDAC3HDAC1HDAC2HDAC8
Succinic Acid SCHEMBL165196 0.71
Succinic Acid SCHEMBL156757 0.71
SCHEMBL5796976 0.71
SCHEMBL6725185 0.69

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
EP-1456254-B1 SUPPORTED TITANIUM-CONTAINING CATALYST FOR HOMO-, CO-, AND TER-POLYMERIZATION OF OLEFINS POLIMERI EUROPA SPA (IT) 2010-03-24 EP disclosed
US-7449528-B2 Supported catalyst containing active titanium in the homo, co-, and ter-polymerization of olefin-unsaturated compounds POLIMERI EUROPA S.P.A. (IT) 2008-11-11 US disclosed