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Sugi Predict / Compounds / SCHEMBL10071625

SCHEMBL10071625

SCHEMBL10071625

CCCCc1ccc(N(c2ccc(-c3ccc(COCC4(CC)COC4)cc3)cc2)c2ccc(-c3ccc(N(c4ccc(CCCC)cc4)c4ccc(-c5ccc(N(c6ccc(CCCC)cc6)c6ccc(-c7cc(-c8ccc(N(c9ccc(CCCC)cc9)c9ccc(-c%10ccc(COCC%11(CC)COC%11)cc%10)cc9)cc8)cc(-c8ccc(N(c9ccc(CCCC)cc9)c9ccc(-c%10cc(-c%11ccc(N(c%12ccc(CCCC)cc%12)c%12ccc(-c%13ccc(COCC%14(CC)COC%14)cc%13)cc%12)cc%11)cc(-c%11ccc(N(c%12ccc(CCCC)cc%12)c%12ccc(-c%13ccc(COCC%14(CC)COC%14)cc%13)cc%12)cc%11)c%10)cc9)cc8)c7)cc6)cc5)cc4)cc3)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 2/20 0.33
▸ NISCH Q9Y2I1 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ AKR1C2 P52895 1/20 0.32
▸ AKR1C1 Q04828 1/20 0.32
▸ GPR84 Q9NQS5 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ TSHR P16473 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ CTSV O60911 1/20 0.30
▸ CTSL P07711 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL10331069 0.97 RARB (0.35) RARBNISCHKCNH2GPR84HRH3
SCHEMBL20180997 0.91 CYP3A4 (0.33) RARBHRH3
SCHEMBL13581284 0.90 MEN1 (0.31) —
SCHEMBL10071630 0.88 TSHR (0.33) TSHR
SCHEMBL26002060 0.87 NAAA (0.32) KCNH2TSHR
SCHEMBL10331065 0.85 — —
SCHEMBL13581283 0.85 — —
SCHEMBL13028015 0.83 FAAH (0.34) TSHR
SCHEMBL13581289 0.83 NAAA (0.34) KCNH2TSHR
SCHEMBL13581278 0.83 NAAA (0.34) KCNH2TSHR

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
US-11737345-B2 Organic electronic material, ink composition containing same, and organic thin film, organic electronic element, organic electroluminescent element, lighting device, and display device formed therewith RESONAC CORPORATION (JP) 2023-08-22 — — US disclosed
EP-2439804-B1 ORGANIC ELECTRONIC MATERIAL, INK COMPOSITION CONTAINING SAME, AND ORGANIC THIN FILM, ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, LIGHTING DEVICE, AND DISPLAY DEVICE FORMED THEREWITH SHOWA DENKO MATERIALS CO LTD (JP) 2021-07-21 — — EP disclosed
US-20210028366-A1 ORGANIC ELECTRONIC MATERIAL, INK COMPOSITION CONTAINING SAME, AND ORGANIC THIN FILM, ORGANIC ELECTRONIC ELEMENT, ORGANIC ELETROLUMINESCENT ELEMENT, LIGHTING DEVICE, AND DISPLAY DEVICE FORMED THEREWITH RESONAC CORPORATION (JP) 2021-01-28 — — US disclosed
US-9929346-B2 Organic electronic material, ink composition containing same, and organic thin film, organic electronic element, organic electroluminescent element, lighting device, and display device formed therewith HITACHI CHEMICAL COMPANY, LTD. (JP) 2018-03-27 — — US disclosed
US-20120074360-A1 Organic Electronic Material, Ink Composition Containing Same, and Organic Thin Film, Organic Electronic Element, Organic Electroluminescent Element, Lighting Device, and Display Device Formed Therewith HITACHI CHEMICAL COMPANY (JP) 2012-03-29 — — US disclosed
US-20120074360-A1 Organic Electronic Material, Ink Composition Containing Same, and Organic Thin Film, Organic Electronic Element, Organic Electroluminescent Element, Lighting Device, and Display Device Formed Therewith HITACHI CHEMICAL COMPANY (JP) 2012-03-29 — — US disclosed