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SCHEMBL13699125

SCHEMBL13699125

O=C(NCCCCCNC(=O)C(Cc1ccccc1)C(=O)NO)c1cccc(S(=O)(=O)NCCCCCNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ HDAC8 Q9BY41 3/20 0.48
▸ HDAC6 Q9UBN7 3/20 0.48
▸ HDAC2 Q92769 2/20 0.48
▸ MMP8 P22894 1/20 0.47
▸ HTT P42858 1/20 0.46
▸ POLB P06746 1/20 0.44
▸ NAMPT P43490 1/20 0.42
▸ AKR1C3 P42330 1/20 0.42
▸ MMP7 P09237 1/20 0.42
▸ CAPN1 P07384 1/20 0.41

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
SCHEMBL13699124 0.78 CA2 (0.52) RAB9ALMNAPOLBNAMPT
SCHEMBL13699273 0.77 F2 (0.56) RAB9ALMNAPOLBNAMPT
SCHEMBL13699182 0.76 LMNA (0.48) RAB9ALMNAHTTPOLBNAMPT
SCHEMBL7358056 0.69 MMP8 (0.89) MMP8
SCHEMBL8508475 0.68 MMP8 (0.73) MMP8
SCHEMBL7357531 0.68 MMP8 (0.73) MMP8
SCHEMBL7357043 0.66 MMP8 (1.00) MMP8
SCHEMBL3243689 0.65 ALDH1A1 (0.68) RAB9ALMNAHDAC8HDAC6HDAC2
SCHEMBL13699191 0.64 NAMPT (0.46) RAB9ALMNAPOLBNAMPT
SCHEMBL13699130 0.64 CA2 (0.66) —

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
WO-2009113704-A2 FLUORINE-CONTAINING COMPOUND AND METHOD FOR DETECTING BIOMOLECULE USING THE SAME KYOTO UNIVERSITY (JP) 2009-09-17 — — WO disclosed