SCHEMBL13699136

SCHEMBL13699136

CC(C)(C)OC(=O)NCCCCCNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RHOC P08134 4/20 0.53
RHOA P61586 4/20 0.53
TDP1 Q9NUW8 1/20 0.52
TP53BP1 Q12888 1/20 0.49
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
CA12 O43570 4/20 0.46
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
CA9 Q16790 4/20 0.46
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TACR1 P25103 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
NAMPT P43490 1/20 0.44
GAA P10253 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
SCHEMBL19300897 0.93 RHOC (0.50) RHOCRHOATDP1TP53BP1ALDH1A1
SCHEMBL18086880 0.85 TACR1 (0.46) RHOCRHOATDP1TP53BP1CA12
SCHEMBL17623617 0.84 TP53BP1 (0.51) TDP1TP53BP1ALDH1A1MEN1KMT2A
SCHEMBL17623723 0.84 TP53BP1 (0.72) TP53BP1ALDH1A1POLBNAMPT
SCHEMBL22767691 0.83 TDP1 (0.56) TDP1MAOAMAOBCA12CA1
SCHEMBL19300687 0.83 TACR1 (0.45) RHOCRHOATDP1TP53BP1CA12
SCHEMBL18759544 0.82 TDP1 (0.56) TDP1MAOAMAOBCA12CA1
SCHEMBL13699240 0.82 KMT2A (0.47) RHOCRHOATP53BP1CA12CA1
SCHEMBL15304097 0.81 P2RY14 (0.49) RHOCRHOATP53BP1TACR1
SCHEMBL18759545 0.81 TDP1 (0.55) TDP1MAOAMAOBCA12CA1

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