SCHEMBL28040668

SCHEMBL28040668

O=C(O)Oc1cccc(CCC(=O)Oc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
TDP1 Q9NUW8 1/20 0.49
PDGFRB P09619 1/20 0.47
PDGFRA P16234 1/20 0.47
FFAR1 O14842 4/20 0.46
HPGD P15428 1/20 0.45
ACHE P22303 3/20 0.44
FFAR4 Q5NUL3 1/20 0.44
APP P05067 1/20 0.43
MEN1 O00255 1/20 0.43
CYP19A1 P11511 1/20 0.43
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43

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
SCHEMBL23996159 0.88 KMT2A (0.57) KMT2ATDP1PDGFRBPDGFRAACHE
SCHEMBL28121828 0.86 KMT2A (0.58) KMT2A
SCHEMBL1050111 0.85 KMT2A (0.73) KMT2ATDP1PDGFRBPDGFRAFFAR1
SCHEMBL28122438 0.84 KMT2A (0.60) KMT2ATDP1PDGFRBPDGFRAFFAR1
Hydrogen Sulfide SCHEMBL27894387 0.83 KMT2A (0.71) KMT2ATDP1PDGFRBPDGFRAFFAR1
Hydrogen Sulfide SCHEMBL28066373 0.83 KMT2A (0.71) KMT2ATDP1PDGFRBPDGFRAFFAR1
SCHEMBL27537713 0.83 KMT2A (0.71) KMT2ATDP1PDGFRBPDGFRAFFAR1
SCHEMBL10882168 0.83 KMT2A (0.71) KMT2ATDP1PDGFRBPDGFRAFFAR1
SCHEMBL11433784 0.83 KMT2A (0.55) KMT2ATDP1PDGFRBPDGFRAFFAR1
SCHEMBL27680586 0.82 KMT2A (0.51) KMT2ATDP1PDGFRBPDGFRAFFAR1

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
CN-103214409-B The synthesis of tsiklomitsin and analogue thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-10-21 CN disclosed