SCHEMBL20787386

SCHEMBL20787386

CC(C)Oc1c(NC(=O)c2ccc(NC=O)c(OC(C)C)c2O)ccc(C(=O)O)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.38
▸ MAPT P10636 3/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ PLAU P00749 2/20 0.36
▸ PLG P00747 1/20 0.36
▸ KDM5A P29375 2/20 0.36
▸ EP300 Q09472 2/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ F10 P00742 1/20 0.33
▸ OR51E2 Q9H255 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ PNLIP P16233 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ LMNA P02545 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ KDM4C Q9H3R0 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ NFKB1 P19838 1/20 0.32

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
SCHEMBL24379800 0.82 MEN1 (0.54) ALDH1A1MAPTTDP1KMT2AMEN1
SCHEMBL26542645 0.77 HDAC1 (0.33) PLAUPLGEP300KMT2AF10
SCHEMBL16371053 0.75 MAPT (0.41) ALDH1A1MAPTTDP1EP300KMT2A
SCHEMBL20786981 0.74 MITF (0.42) ALDH1A1MAPTPLAUPLGEP300
SCHEMBL26543681 0.73 PLG (0.38) ALDH1A1MAPTTDP1PLAUPLG
SCHEMBL26544759 0.73 NPC1 (0.34) ALDH1A1MAPTPLAUPLGEP300
SCHEMBL24379797 0.72 EP300 (0.53) ALDH1A1MAPTTDP1EP300KMT2A
SCHEMBL26544999 0.72 PLG (0.37) ALDH1A1MAPTTDP1PLAUPLG
SCHEMBL16392463 0.71 EP300 (0.57) EP300KMT2AMEN1LMNARAB9A
SCHEMBL21063938 0.71 MAPT (0.53) ALDH1A1MAPTTDP1KMT2AMEN1

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-2019038405-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2019-02-28 — — WO disclosed
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