SCHEMBL9848686

SCHEMBL9848686

CC(C)(C)OC(=O)CCc1ccc(OC(C)(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.47
F2RL1 P55085 1/20 0.44
PPARG P37231 3/20 0.42
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
KMT2A Q03164 1/20 0.41
ACACB O00763 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ABCB1 P08183 1/20 0.41
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
FFAR1 O14842 1/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HDAC8 Q9BY41 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL10982252 0.89 CYP4F2 (0.50) PPARAF2RL1CYP4F2CYP4A11KMT2A
SCHEMBL2722383 0.87 F2RL1 (0.60) F2RL1LMNAL3MBTL1FFAR1MAPT
SCHEMBL29059895 0.84 ELANE (0.57) PPARAF2RL1CYP4F2CYP4A11KMT2A
SCHEMBL23772470 0.84 TDP1 (0.53) PPARAPPARGCYP4F2CYP4A11LMNA
SCHEMBL29059946 0.84 SLC5A1 (0.52) CYP4F2CYP4A11ACACBADRB2ADRB1
SCHEMBL2789562 0.83 FFAR1 (0.59) PPARALMNAL3MBTL1FFAR1
SCHEMBL10389748 0.83 ALDH1A1 (0.53) PPARAF2RL1PPARGKMT2AACACB
SCHEMBL7420345 0.83 CYP4F2 (0.49) CYP4F2CYP4A11KMT2ALMNAL3MBTL1
SCHEMBL9784096 0.83 ACACB (0.46) PPARAPPARGCYP4F2CYP4A11KMT2A
SCHEMBL1587126 0.83 MEN1 (0.45) CYP4F2CYP4A11KMT2ALMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1523493-B1 NOVEL TUBULYSIN ANALOGUES DOEMLING ALEXANDER (DE) 2013-09-04 EP disclosed
EP-1511751-B1 PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AS ANTIVIRAL AGENTS NEOGENESIS PHARMACEUTICALS INC (US) 2008-03-19 EP disclosed
WO-2007044410-A1 PYRAZOLO [1,5-A] PYRIMIDINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2007-04-19 WO disclosed
EP-0438873-A1 Inhibitor of ribonucleotide reductase of herpes viruses MERCK & CO. INC. (US) 1991-07-31 EP disclosed