SCHEMBL27680586

SCHEMBL27680586

CC(C)(C)OC(=O)Oc1cccc(CCC(=O)Oc2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
ELANE P08246 1/20 0.44
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
ACHE P22303 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
AKR1C3 P42330 1/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
FFAR1 O14842 2/20 0.40
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL7359215 0.82 CYP4F2 (0.48) ELANEACHEPPARGPPARA
SCHEMBL23996159 0.82 KMT2A (0.57) KMT2APDGFRBPDGFRAACHETDP1
SCHEMBL28040668 0.82 KMT2A (0.56) KMT2APDGFRBPDGFRAACHETDP1
SCHEMBL28121828 0.81 KMT2A (0.58) KMT2AAKR1C3RAB9A
SCHEMBL22924623 0.80 PPARA (0.55) ELANEACHEPPARGPPARA
SCHEMBL5085655 0.80 ELANE (0.44) ELANEACHEPPARGPPARA
SCHEMBL16959817 0.79 ELANE (0.49) KMT2AELANEACHEPPARGPPARA
SCHEMBL28122438 0.79 KMT2A (0.60) KMT2APDGFRBPDGFRATDP1MEN1
SCHEMBL28080644 0.79 KMT2A (0.51) KMT2ATDP1PPARGPPARAAKR1C3
SCHEMBL11771781 0.78 ELANE (0.67) KMT2AELANETDP1HPGDL3MBTL1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103224474-B The synthesis of tetracycline and the like 哈佛大学校长及研究员协会 2016-08-03 CN disclosed
CN-103214409-B The synthesis of tsiklomitsin and analogue thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-10-21 CN disclosed
CN-103224474-A Synthesis of tetracyclines and analogues thereof HARVARD COLLEGE 2013-07-31 CN disclosed
CN-103214409-A Synthesis of tetracyclines and analogues thereof HARVARD COLLEGE 2013-07-24 CN disclosed
CN-101027279-B Synthesis of tetracyclines and analogues thereof HARVARD COLLEGE 2013-03-27 CN disclosed
CN-101027279-A Synthesis of tetracyclines and analogues thereof HARVARD COLLEGE (US) 2007-08-29 CN disclosed