SCHEMBL1289928

SCHEMBL1289928

CCC(C(=O)C(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.48
CYP2C19 P33261 3/20 0.48
POLB P06746 2/20 0.47
FFAR2 O15552 1/20 0.47
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
CYP2D6 P10635 2/20 0.44
KCNQ2 O43526 2/20 0.43
BRD4 O60885 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
GABBR2 O75899 3/20 0.42
GABBR1 Q9UBS5 3/20 0.42
LMNA P02545 3/20 0.42
HTT P42858 2/20 0.42
CYP3A4 P08684 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
NFKB1 P19838 1/20 0.42
DRD3 P35462 1/20 0.42
BLM P54132 1/20 0.42

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
SCHEMBL9577449 0.86 FFAR2 (0.49) CYP2C9CYP2C19POLBFFAR2KMT2A
SCHEMBL16075922 0.85 POLB (0.58) CYP2C9CYP2C19POLBFFAR2KMT2A
SCHEMBL1742115 0.85 POLB (0.58) CYP2C9CYP2C19POLBFFAR2KMT2A
SCHEMBL7711076 0.85 POLB (0.58) CYP2C9CYP2C19POLBFFAR2KMT2A
SCHEMBL9872058 0.83 ALDH1A1 (0.53) CYP2C9CYP2C19POLBKMT2AMEN1
SCHEMBL710418 0.82 LMNA (0.56) POLBKMT2AMEN1KCNQ2CRHBP
SCHEMBL10443324 0.81 KCNQ2 (0.43) KMT2AMEN1KCNQ2CRHBPCRHR2
SCHEMBL10443280 0.81 KMT2A (0.43) KMT2AMEN1CRHBPCRHR2LMNA
SCHEMBL10443246 0.81 CRHBP (0.54) CYP2C9CYP2C19POLBKMT2AMEN1
SCHEMBL9588276 0.81 FFAR2 (0.49) CYP2C9CYP2C19POLBFFAR2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0386243-A1 PLATINUM (II) COMPLEXES SAGAMI CHEMICAL RESEARCH CENTER (JP) 1990-09-12 EP disclosed