SCHEMBL11533133

SCHEMBL11533133

CCOC(=O)C(CCCCNC(=O)C(F)(F)F)NC(=O)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.51
ALDH1A1 P00352 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
EPHX1 P07099 1/20 0.51
KMT2A Q03164 4/20 0.50
MEN1 O00255 2/20 0.50
CA3 P07451 2/20 0.46
CA5A P35218 2/20 0.46
CA5B Q9Y2D0 2/20 0.46
CA14 Q9ULX7 2/20 0.46
CA12 O43570 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 1/20 0.36
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL11529874 1.00 POLB (0.51) POLBALDH1A1SMN1; SMN2EPHX1KMT2A
SCHEMBL11529257 1.00 POLB (0.51) POLBALDH1A1SMN1; SMN2EPHX1KMT2A
SCHEMBL11537085 0.84 CPB2 (0.47) POLBKMT2AL3MBTL1SIRT6SIRT1
SCHEMBL11537079 0.84 CPB2 (0.47) POLBKMT2AL3MBTL1SIRT6SIRT1
SCHEMBL13835092 0.80 SMN1; SMN2 (0.60) POLBALDH1A1SMN1; SMN2EPHX1KMT2A
SCHEMBL1535020 0.80 SMN1; SMN2 (0.60) POLBALDH1A1SMN1; SMN2EPHX1KMT2A
SCHEMBL16280888 0.79 EPHX1 (0.51) POLBALDH1A1SMN1; SMN2EPHX1KMT2A
SCHEMBL20801688 0.79 MEN1 (0.61) POLBALDH1A1SMN1; SMN2EPHX1KMT2A
SCHEMBL20801685 0.79 ALDH1A1 (0.58) POLBALDH1A1SMN1; SMN2EPHX1KMT2A
SCHEMBL13018502 0.79 ALDH1A1 (0.58) POLBALDH1A1SMN1; SMN2EPHX1KMT2A

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
US-4140496-A GAS CHROMATOGRAPHY SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1979-02-20 US disclosed