SCHEMBL28347865

SCHEMBL28347865

CC(C)(C)c1ccc(C(=O)OP(=O)(O)O)c(C(C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.38
▸ HSP90AA1 P07900 1/20 0.37
▸ HSP90AB1 P08238 1/20 0.37
▸ APEX1 P27695 1/20 0.36
▸ HDAC1 Q13547 1/20 0.35
▸ NR1H4 Q96RI1 2/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ HPGD P15428 2/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 3/20 0.33
▸ NR5A2 O00482 1/20 0.33
▸ NR5A1 Q13285 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CES2 O00748 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL28393442 0.98 TDP1 (0.37) TDP1HSP90AA1HSP90AB1APEX1HDAC1
SCHEMBL28347866 0.85 TDP1 (0.36) TDP1HSP90AA1HSP90AB1APEX1HDAC1
SCHEMBL9699948 0.82 TDP1 (0.42) TDP1HSP90AA1HSP90AB1APEX1HDAC1
SCHEMBL13945805 0.80 CFTR (0.49) TDP1NR1H4ALDH1A1HPGDHSD17B10
SCHEMBL18542708 0.79 GABRA1 (0.45) TDP1HSP90AA1HSP90AB1APEX1ALDH1A1
Phosphoric Acid SCHEMBL28393443 0.76 TDP1 (0.42) TDP1HSP90AA1HSP90AB1HDAC1NR1H4
SCHEMBL27960937 0.76 TDP1 (0.42) TDP1HSP90AA1HSP90AB1APEX1ALDH1A1
SCHEMBL31350139 0.76 TDP1 (0.50) TDP1HSP90AA1HSP90AB1HDAC1NR1H4
SCHEMBL4631399 0.76 TDP1 (0.59) TDP1HSP90AA1NR1H4ALDH1A1HPGD
SCHEMBL29017974 0.75 HDAC1 (0.53) TDP1APEX1HDAC1ALDH1A1ALOX15

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
CN-108094006-B PE mulching film 东莞市正新包装制品有限公司 2020-01-24 — — CN disclosed
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