SCHEMBL27636737

SCHEMBL27636737

CC(C)(C)c1ccc(OC(=O)c2cccc(O)c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.69
TDP1 Q9NUW8 2/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
ESR1 P03372 3/20 0.60
ESR2 Q92731 2/20 0.60
ALDH1A1 P00352 1/20 0.59
THRB P10828 1/20 0.59
KMT2A Q03164 5/20 0.56
MEN1 O00255 3/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
PRSS1 P07477 1/20 0.51
ACR P10323 1/20 0.51
ESRRG P62508 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
NR4A1 P22736 1/20 0.47
NR4A2 P43354 1/20 0.47

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
SCHEMBL21681864 0.91 ESR1 (0.60) MAPTTDP1L3MBTL1ESR1ESR2
SCHEMBL29905110 0.91 ESR1 (0.60) MAPTTDP1L3MBTL1ESR1ESR2
SCHEMBL2395085 0.91 MAPT (0.78) MAPTTDP1L3MBTL1ESR1ESR2
SCHEMBL21681878 0.87 ESR1 (0.65) MAPTTDP1ESR1ESR2ALDH1A1
SCHEMBL8917962 0.86 MAPT (0.71) MAPTTDP1L3MBTL1ESR1ESR2
SCHEMBL5350599 0.86 MAPT (0.62) MAPTTDP1L3MBTL1ESR1ESR2
SCHEMBL9010694 0.84 ESR1 (0.61) MAPTTDP1ESR1ESR2KMT2A
SCHEMBL21771874 0.84 MAPT (0.68) MAPTTDP1L3MBTL1ALDH1A1THRB
SCHEMBL10921643 0.83 KMT2A (0.61) MAPTTDP1ESR1ESR2ALDH1A1
SCHEMBL8210174 0.82 MAPT (1.00) MAPTTDP1L3MBTL1ALDH1A1THRB

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
CN-100434453-C Polycarbonates, polyester carbonates and polyesters containing pendant cycloalkyl-substituted phenols BAYER MATERIALSCIENCE AG (DE) 2008-11-19 CN claimed
CN-100434453-C Polycarbonates, polyester carbonates and polyesters containing pendant cycloalkyl-substituted phenols BAYER MATERIALSCIENCE AG (DE) 2008-11-19 CN disclosed
CN-1729227-A Polycarbonates, polyester carbonates and polyesters containing pendant cycloalkyl-substituted phenols BAYER MATERIALSCIENCE AG (DE) 2006-02-01 CN disclosed