Sugi Predict

Sugi Predict / Compounds / SCHEMBL8694069

SCHEMBL8694069

SCHEMBL8694069

CCC=CCCCCCCCNC(=O)OC(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.61
▸ MAOA P21397 1/20 0.57
▸ MAOB P27338 1/20 0.57
▸ CA12 O43570 4/20 0.50
▸ CA1 P00915 4/20 0.50
▸ CA2 P00918 4/20 0.50
▸ CA9 Q16790 4/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ EPHX2 P34913 8/20 0.47

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
SCHEMBL6112456 0.90 TDP1 (0.56) TDP1MAOAMAOBCA12CA1
SCHEMBL6112454 0.90 TDP1 (0.56) TDP1MAOAMAOBCA12CA1
SCHEMBL28536043 0.87 TDP1 (0.50) TDP1MAOAMAOBCA12CA1
SCHEMBL16306884 0.86 MAOA (0.60) TDP1MAOAMAOBCA12CA1
SCHEMBL8696113 0.86 TDP1 (0.63) TDP1MAOAMAOBCA12CA1
SCHEMBL20859578 0.86 TDP1 (0.63) TDP1MAOAMAOBCA12CA1
SCHEMBL30596811 0.83 EPHX2 (0.67) TDP1MEN1KMT2AEPHX2
SCHEMBL17244802 0.83 TDP1 (0.55) TDP1MAOAMAOBCA12CA1
SCHEMBL7438984 0.83 TDP1 (0.59) TDP1MAOAMAOBCA12CA1
SCHEMBL8411840 0.83 TDP1 (0.59) 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
US-5753669-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1998-05-19 — — US disclosed