SCHEMBL22043484

SCHEMBL22043484

CCOC(=O)COc1ccc(-c2nc3cc(NC(=O)[C@H](N)Cc4ccccc4)ccc3o2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 14/20 0.56
▸ THRB P10828 2/20 0.56
▸ POLB P06746 3/20 0.55
▸ RXFP1 Q9HBX9 4/20 0.54
▸ TP53 P04637 3/20 0.51
▸ ALDH1A1 P00352 4/20 0.50
▸ NPC1 O15118 3/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ KDM4E B2RXH2 3/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ CETP P11597 1/20 0.50
▸ HPGD P15428 2/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ UTRN P46939 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL22043468 0.86 MAPT (0.69) MAPTTHRBPOLBRXFP1TP53
SCHEMBL22043476 0.83 SMN1; SMN2 (0.58) MAPTTHRBPOLBRXFP1TP53
SCHEMBL22043473 0.78 IMPDH2 (0.71) MAPTALDH1A1KDM4ELMNAHPGD
SCHEMBL16939846 0.75 SMN1; SMN2 (0.66) MAPTTHRBPOLBTP53ALDH1A1
SCHEMBL15569860 0.72 ALDH1A1 (0.70) MAPTPOLBRXFP1TP53ALDH1A1
SCHEMBL3948187 0.71 UTRN (0.77) MAPTTHRBPOLBRXFP1TP53
SCHEMBL3948179 0.71 UTRN (0.77) MAPTTHRBPOLBRXFP1TP53
SCHEMBL2244578 0.70 NPC1 (0.80) MAPTTHRBPOLBTP53ALDH1A1
SCHEMBL2242920 0.70 SMN1; SMN2 (0.80) MAPTTHRBPOLBTP53ALDH1A1
SCHEMBL2242581 0.70 CASP3 (0.74) MAPTTHRBPOLBRXFP1TP53

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-2020112605-A1 COMPOUNDS AND METHODS FOR TREATING CHRONIC MICROBIAL INFECTIONS BRANDEIS UNIVERSITY (US) 2020-06-04 — — WO disclosed
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