SCHEMBL8955291

SCHEMBL8955291

Cc1ccc(OCC(=O)OC(C)(C)C)c(Cc2cc(C)cc(Cc3cc(C)ccc3OCC(=O)OC(C)(C)C)c2OCC(=O)OC(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
HPGD P15428 3/20 0.42
ALDH1A1 P00352 3/20 0.42
POLB P06746 3/20 0.42
HSD17B10 Q99714 2/20 0.42
MEN1 O00255 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
MTNR1A P48039 5/20 0.38
MTNR1B P49286 5/20 0.38
TDP1 Q9NUW8 2/20 0.38
GAA P10253 1/20 0.38
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37
MAPT P10636 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL8958295 0.89 HPGD (0.41) KDM4EHPGDALDH1A1POLBHSD17B10
SCHEMBL12227894 0.85 KDM4E (0.49) KDM4EHPGDALDH1A1POLBHSD17B10
SCHEMBL12227892 0.85 KDM4E (0.49) KDM4EHPGDALDH1A1POLBHSD17B10
SCHEMBL276599 0.85 KDM4E (0.41) KDM4EHPGDALDH1A1POLBHSD17B10
SCHEMBL23028315 0.81 ALDH1A1 (0.38) KDM4EHPGDALDH1A1POLBHSD17B10
SCHEMBL12541603 0.79 MEN1 (0.52) KDM4EHPGDALDH1A1POLBHSD17B10
SCHEMBL22504633 0.78 ALDH1A1 (0.36) KDM4EHPGDALDH1A1POLBHSD17B10
SCHEMBL12145826 0.77 SMN1; SMN2 (0.55) KDM4EHPGDALDH1A1POLBMEN1
SCHEMBL14220714 0.77 NPC1 (0.52) KDM4EHPGDALDH1A1POLBHSD17B10
SCHEMBL19188818 0.75 KDM4E (0.43) KDM4EHPGDALDH1A1POLBHSD17B10

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
JP-8193055-A None JP disclosed
JP-H08193055-A 2,6-BIS(2-T-BUTOXYCARBONYLMETHYLOXYPHENYLMETHYL)-1-T-BUTOXYCARBONYLMETHYLOXY-4-METHYLBENZENE AND ITS DERIVATIVE SHIN ETSU CHEM CO LTD 1996-07-30 JP disclosed