SCHEMBL11449093

SCHEMBL11449093

CC(C)(C)c1ccc(O)c(C(=O)[O-])c1.CC(C)(C)c1ccc(O)c(C(=O)[O-])c1.[Pb+2]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.57
▸ HSP90AB1 P08238 1/20 0.57
▸ ALDH1A1 P00352 3/20 0.53
▸ TDP1 Q9NUW8 2/20 0.53
▸ HPGD P15428 2/20 0.53
▸ HSD17B10 Q99714 2/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ MAPT P10636 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ GAA P10253 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ RECQL P46063 1/20 0.48
▸ PLG P00747 2/20 0.48
▸ KLK1 P06870 2/20 0.48
▸ KLK6 Q92876 2/20 0.48
▸ KLKB1 P03952 1/20 0.48
▸ SIRT1 Q96EB6 1/20 0.46
▸ PTPN5 P54829 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43

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
Lithium Ion SCHEMBL427275 0.96 HSP90AA1 (0.57) HSP90AA1HSP90AB1ALDH1A1TDP1HPGD
Zinc Ion SCHEMBL9797204 0.96 HSP90AA1 (0.57) HSP90AA1HSP90AB1ALDH1A1TDP1HPGD
SCHEMBL432203 0.96 HSP90AA1 (0.57) HSP90AA1HSP90AB1ALDH1A1TDP1HPGD
Trifluoroacetic Acid SCHEMBL25310766 0.89 HSP90AA1 (0.50) HSP90AA1HSP90AB1ALDH1A1TDP1HPGD
Chlorobenzene SCHEMBL31572521 0.85 HSP90AA1 (0.47) HSP90AA1HSP90AB1ALDH1A1TDP1HPGD
SCHEMBL3681380 0.81 TDP1 (0.53) HSP90AA1HSP90AB1ALDH1A1TDP1HPGD
Zinc Ion SCHEMBL10915758 0.81 TDP1 (0.53) HSP90AA1HSP90AB1ALDH1A1TDP1HPGD
SCHEMBL9118409 0.81 TDP1 (0.53) HSP90AA1HSP90AB1ALDH1A1TDP1HPGD
SCHEMBL9191843 0.81 TDP1 (0.53) HSP90AA1HSP90AB1ALDH1A1TDP1HPGD
SCHEMBL20968011 0.81 HSP90AA1 (0.60) HSP90AA1HSP90AB1ALDH1A1TDP1HPGD

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
US-4214929-A Liquid monopropellants containing dissolved combustion modifiers THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1980-07-29 — — US claimed
US-4214929-A Liquid monopropellants containing dissolved combustion modifiers THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1980-07-29 — — US disclosed
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