SCHEMBL2714857

SCHEMBL2714857

CCC(=O)Oc1ccc2cc(C)c(=O)oc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.60
▸ KDM4E B2RXH2 9/20 0.60
▸ GLA P06280 8/20 0.60
▸ GAA P10253 8/20 0.60
▸ HPGD P15428 7/20 0.60
▸ HSD17B10 Q99714 5/20 0.60
▸ KMT2A Q03164 4/20 0.60
▸ CASP1 P29466 3/20 0.60
▸ CASP7 P55210 3/20 0.60
▸ MAPK1 P28482 2/20 0.60
▸ USP2 O75604 2/20 0.60
▸ CYP1A2 P05177 1/20 0.56
▸ ALOX15 P16050 1/20 0.56
▸ HSD17B3 P37058 1/20 0.54
▸ MAOB P27338 3/20 0.51
▸ CA12 O43570 3/20 0.51
▸ CA2 P00918 2/20 0.51
▸ CA4 P22748 2/20 0.51
▸ CA7 P43166 2/20 0.51
▸ CA9 Q16790 2/20 0.51

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
SCHEMBL1526869 0.89 KDM4E (0.63) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL2190565 0.85 ALDH1A1 (0.52) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL9292707 0.85 ALDH1A1 (0.52) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL3135327 0.85 ALDH1A1 (0.52) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL1096028 0.85 ALDH1A1 (0.52) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL2186487 0.85 ALDH1A1 (0.52) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL4769996 0.84 KDM4E (0.67) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL8425140 0.84 ALDH1A1 (0.59) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL28509670 0.83 KDM4E (0.53) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL4769998 0.81 CA12 (0.70) ALDH1A1KDM4EGLAGAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2084294-A2 STERILIZATION INDICATOR American Sterilizer Company (US) 2009-08-05 — — EP claimed
EP-2084293-A2 GENETICALLY ENGINEERED BIOLOGICAL INDICATOR American Sterilizer Company (US) 2009-08-05 — — EP claimed
WO-2008082728-A2 STERILIZATION INDICATOR AMERICAN STERILIZER COMPANY (US) 2008-07-10 — — WO claimed
WO-2008079469-A2 GENETICALLY ENGINEERED BIOLOGICAL INDICATOR AMERICAN STERILIZER COMPANY (US) 2008-07-03 — — WO claimed
CN-112321620-B Keap1-Nrf2 PPI inhibitor prodrug, preparation method and application 中国药科大学 2022-03-29 — — CN disclosed
CN-112321620-A Keap1-Nrf2 PPI inhibitor prodrug, preparation method and application 中国药科大学 2021-02-05 — — CN disclosed
CN-110218207-B Coumarin hybrid pyridone compound with iron chelation and monoamine oxidase B inhibition activity and preparation and application thereof 浙江工业大学 2020-12-25 — — CN disclosed
EP-2635700-A2 BIOLOGICAL STERILIZATION INDICATOR 3M Innovative Properties Company (US) 2013-09-11 — — EP disclosed
WO-2012061227-A2 BIOLOGICAL STERILIZATION INDICATOR 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-05-10 — — WO disclosed
EP-2084294-A2 STERILIZATION INDICATOR American Sterilizer Company (US) 2009-08-05 — — EP disclosed
WO-2008082728-A2 STERILIZATION INDICATOR AMERICAN STERILIZER COMPANY (US) 2008-07-10 — — WO disclosed
Send feedback