SCHEMBL8980246

SCHEMBL8980246

Cc1c(C)c2c(c(C)c1O)C(=O)CC(C)(COc1ccc(N)cc1)O2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
PPARG P37231 1/20 0.37
AKT1 P31749 1/20 0.34
PTPN1 P18031 3/20 0.31
ALDH1A1 P00352 3/20 0.31
KDM4E B2RXH2 2/20 0.31
GAA P10253 2/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TSHR P16473 2/20 0.31
RECQL P46063 1/20 0.31

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
SCHEMBL8980424 0.86 KMT2A (0.44) MEN1MAPTKMT2ATDP1PPARG
SCHEMBL7125937 0.84 MEN1 (0.36) MEN1MAPTKMT2ATDP1PPARG
SCHEMBL10640704 0.81 PPARG (0.46) MEN1MAPTKMT2ATDP1PPARG
SCHEMBL9533035 0.80 ESR1 (0.40) MEN1MAPTKMT2ATDP1AKT1
SCHEMBL10639162 0.80 PPARG (0.41) MEN1MAPTKMT2ATDP1PPARG
SCHEMBL9632908 0.80 DDB1 (0.34) MEN1MAPTKMT2ATDP1PTPN1
SCHEMBL8459669 0.80 MEN1 (0.53) MEN1MAPTKMT2ATDP1PPARG
SCHEMBL10977280 0.80 AKT1 (0.37) MEN1MAPTKMT2ATDP1AKT1
SCHEMBL9632649 0.78 PPARG (0.31) MEN1MAPTKMT2ATDP1PPARG
SCHEMBL10638804 0.78 MEN1 (0.44) MEN1MAPTKMT2ATDP1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0556830-B1 Method for the preparation of 6-hydroxy-2,5,7,8-tetraalkyl-2-(4-aminophenoxymethyl)chromans LONZA AG (CH) 1996-04-24 EP disclosed
EP-0556830-A1 Method for the preparation of 6-hydroxy-2,5,7,8-tetraalkyl-2-(4-aminophenoxymethyl)chromans LONZA AG (CH) 1993-08-25 EP disclosed