Sugi Predict

Sugi Predict / Compounds / SCHEMBL19983230

SCHEMBL19983230

SCHEMBL19983230

CC(C)(C)OC(=O)NCCCCC(NC(=O)C1CCCC1)C(=O)Cn1cnnn1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.44
▸ KMT2A Q03164 8/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ MAPT P10636 1/20 0.41
▸ ITGB3 P05106 8/20 0.40
▸ ITGA2B P08514 8/20 0.40
▸ POLB P06746 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL19983229 1.00 MEN1 (0.44) MEN1KMT2AALDH1A1MAPTITGB3
SCHEMBL19983317 0.84 MEN1 (0.42) MEN1KMT2AALDH1A1MAPTITGB3
SCHEMBL19983318 0.84 MEN1 (0.42) MEN1KMT2AALDH1A1MAPTITGB3
SCHEMBL19982934 0.81 CTSB (0.51) —
SCHEMBL19982936 0.81 CTSB (0.51) —
SCHEMBL19983275 0.80 MEN1 (0.44) MEN1KMT2AALDH1A1ITGB3ITGA2B
SCHEMBL28344129 0.80 MEN1 (0.44) MEN1KMT2AALDH1A1ITGB3ITGA2B
SCHEMBL17646306 0.80 MEN1 (0.44) MEN1KMT2AALDH1A1ITGB3ITGA2B
SCHEMBL19983087 0.79 ITGB3 (0.43) MEN1KMT2AALDH1A1MAPTITGB3
SCHEMBL19983044 0.79 MEN1 (0.42) MEN1KMT2AALDH1A1MAPTITGB3

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-2018053353-A1 KETONE INHIBITORS OF LYSINE GINGIPAIN Cortexyme, Inc. (US) 2018-03-22 — — WO disclosed