SCHEMBL2370050

SCHEMBL2370050

Cc1cc(CC=O)ccc1F

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.45
▸ HDAC3 O15379 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ MMP13 P45452 1/20 0.43
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ PTPN7 P35236 1/20 0.38
▸ DUSP3 P51452 1/20 0.38
▸ FFAR4 Q5NUL3 1/20 0.37
▸ GPR183 P32249 1/20 0.36
▸ MPO P05164 1/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ DHODH Q02127 1/20 0.35

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
SCHEMBL2557796 0.83 DAO (0.45) DAOHDAC1FFAR4GPR183
SCHEMBL7687745 0.83 SLC6A2 (0.41) DAOHDAC3HDAC1HDAC2HDAC8
SCHEMBL1257233 0.82 DAO (0.49) DAOHDAC3HDAC1HDAC2HDAC8
SCHEMBL2560484 0.80 ALDH1A1 (0.37) —
SCHEMBL896163 0.80 HTT (0.42) DAO
SCHEMBL27769441 0.79 SIGMAR1 (0.39) DAOHDAC3HDAC1HDAC2HDAC8
SCHEMBL2093201 0.78 DAO (0.47) DAOHDAC3HDAC1HDAC2HDAC8
SCHEMBL2090687 0.78 SLC6A2 (0.47) DAOHDAC3HDAC1HDAC2HDAC8
SCHEMBL2692116 0.78 SLC6A2 (0.46) DAOHDAC3HDAC1HDAC2HDAC8
SCHEMBL17971122 0.78 ESR1 (0.54) DAOHDAC3HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 — — US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 — — EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 — — EP disclosed
EP-2709983-A1 INSECTICIDAL COMPOUNDS BASED ON ARYLTHIOACETAMIDE DERIVATIVES Syngenta Participations AG (CH) 2014-03-26 — — EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 — — US disclosed
WO-2013087738-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 — — WO disclosed
WO-2013087739-A1 4-ARYL IMIDAZOLE DERIVATIVES AS MGLUR5 POSITIVE ALLOSTERIC MODULATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 — — WO disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 — — EP disclosed
EP-2539335-A1 PROCESS FOR THE PREPARATION OF ISOXAZOLINE DERIVATIVES Syngenta Participations AG (CH) 2013-01-02 — — EP disclosed
WO-2012156400-A1 INSECTICIDAL COMPOUNDS BASED ON ARYLTHIOACETAMIDE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2012-11-22 — — WO disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 — — WO disclosed
WO-2011104089-A1 PROCESS FOR THE PREPARATION OF ISOXAZOLINE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2011-09-01 — — WO disclosed
EP-1881967-B1 SUBSTITUTED BENZO(D)ISOXAZOL-3-YL AMINE COMPOUNDS AS ANALGESICS GRUENENTHAL GMBH (DE) 2010-04-28 — — EP disclosed
EP-2114867-A1 AMINOAMIDES AS OREXIN ANTAGONISTS F. Hoffmann-Roche AG (CH) 2009-11-11 — — EP disclosed
WO-2008107335-A1 AMINOAMIDES AS OREXIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-09-12 — — WO disclosed
WO-2005103055-A1 PYRAZOLO-[4,3-e]-1,2,4-TRIAZOLO-[1,5-c]-PYRIMIDINE ADENOSINE A2A RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2005-11-03 — — WO disclosed
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