SCHEMBL6835172

SCHEMBL6835172

COC1=C(c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)C(=O)c2ccc(C)c(C)c2C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 5/20 0.37
▸ HSP90AA1 P07900 2/20 0.36
▸ TDP2 O95551 1/20 0.36
▸ NSD2 O96028 1/20 0.36
▸ PAX8 Q06710 1/20 0.36
▸ EPHX2 P34913 3/20 0.35
▸ PTPN1 P18031 1/20 0.34
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ PLA2G1B P04054 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ SENP8 Q96LD8 1/20 0.33
▸ SENP7 Q9BQF6 1/20 0.33
▸ SENP6 Q9GZR1 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ATG4B Q9Y4P1 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
SCHEMBL3705362 0.89 PTPN1 (0.41) ELANEHSP90AA1TDP2NSD2PAX8
SCHEMBL3692462 0.84 PTPN1 (0.41) ELANEHSP90AA1TDP2NSD2PAX8
SCHEMBL5843487 0.83 ALDH1A1 (0.37) ELANEHSP90AA1EPHX2PTPN1ALDH1A1
SCHEMBL6939858 0.79 ALDH1A1 (0.37) ELANEHSP90AA1EPHX2PTPN1NPC1
SCHEMBL3689674 0.76 TDP2 (0.44) ELANEHSP90AA1TDP2NSD2PAX8
SCHEMBL3699504 0.75 PTPN1 (0.48) ELANEHSP90AA1PTPN1ALDH1A1CYP1A2
SCHEMBL3700187 0.74 CA2 (0.43) PTPN1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL3698561 0.73 TDP2 (0.44) ELANEHSP90AA1TDP2NSD2PAX8
SCHEMBL3692504 0.71 TDP2 (0.39) ELANEHSP90AA1TDP2NSD2PAX8
SCHEMBL3690041 0.71 PTPN1 (0.42) ELANEEPHX2PTPN1ALDH1A1CYP1A2

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
US-20040152080-A1 Method for detecting cytosine methylations QIAGEN GMBH (DE) 2004-08-05 — — US disclosed
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