SCHEMBL1123053

SCHEMBL1123053

COC(=O)c1ccc(OCCOc2nc3ccccc3nc2C)cc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.63
▸ RAB9A P51151 2/20 0.63
▸ TSHR P16473 2/20 0.59
▸ L3MBTL1 Q9Y468 2/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ MAPK1 P28482 2/20 0.51
▸ KDM4E B2RXH2 6/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ LMNA P02545 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ HPGD P15428 1/20 0.50
▸ NPC1 O15118 1/20 0.49
▸ GAA P10253 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ VDR P11473 1/20 0.46
▸ TP53 P04637 1/20 0.45

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
SCHEMBL1122737 0.87 PKM (0.60) MAPTRAB9ATSHRL3MBTL1MAPK1
SCHEMBL1122629 0.86 CYSLTR1 (0.57) MAPTRAB9ATSHRL3MBTL1MAPK1
SCHEMBL5936640 0.86 PARP10 (0.60) MAPTRAB9ATSHRL3MBTL1KDM4E
SCHEMBL5284759 0.79 MAPT (1.00) MAPTRAB9ATSHRL3MBTL1TDP1
SCHEMBL1951546 0.78 MAPT (1.00) MAPTRAB9AL3MBTL1TDP1KDM4E
SCHEMBL1122623 0.78 GAA (0.64) RAB9ATSHRLMNAALDH1A1GAA
SCHEMBL1123321 0.76 KMT2A (0.57) TSHRL3MBTL1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL24844734 0.74 MAPT (0.90) MAPTRAB9ATSHRL3MBTL1TDP1
SCHEMBL6539224 0.74 MAPT (0.90) MAPTRAB9ATSHRL3MBTL1TDP1
SCHEMBL386165 0.74 MAPT (0.89) MAPTRAB9AL3MBTL1TDP1KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1644321-B1 NEW BENZAMIDES AS PPATY MODULATORS S A L V A T LAB SA (ES) 2011-02-09 — — EP disclosed
EP-1644321-A2 NEW BENZAMIDES AS PPATY MODULATORS LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2006-04-12 — — EP disclosed
WO-2004110983-A2 NEW BENZAMIDES AS PPARϒ MODULATORS LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2004-12-23 — — WO disclosed
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