SCHEMBL21419732

SCHEMBL21419732

CCCC1(CCC)c2ccccc2-c2ccc(C(=O)/C(=N/OC(C)=O)C3CCCCC3)cc21

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 17/20 0.40
▸ HTR7 P34969 2/20 0.33
▸ HTR2B P41595 2/20 0.33
▸ APEX1 P27695 1/20 0.32

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
SCHEMBL18123001 0.85 PDK2 (0.37) PDK2HTR7HTR2B
SCHEMBL18926233 0.85 ALDH1A1 (0.30) —
SCHEMBL21431279 0.85 PDK2 (0.33) PDK2
SCHEMBL18122990 0.84 PDK2 (0.37) PDK2HTR7HTR2BAPEX1
SCHEMBL18122995 0.83 APEX1 (0.38) PDK2HTR7HTR2BAPEX1
SCHEMBL24490442 0.83 PDK2 (0.36) PDK2APEX1
SCHEMBL17056224 0.81 PDK2 (0.41) PDK2HTR7HTR2BAPEX1
SCHEMBL17084360 0.81 PDK2 (0.41) PDK2HTR7HTR2BAPEX1
SCHEMBL18123000 0.80 APEX1 (0.39) PDK2HTR7HTR2BAPEX1
SCHEMBL22355421 0.80 PDK2 (0.36) PDK2HTR7HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11142629-B2 Hydrogen barrier agent, hydrogen barrier film forming composition, hydrogen barrier film, method for producing hydrogen barrier film, and electronic element TOKYO OHKA KOGYO CO., LTD. (JP) 2021-10-12 — — US disclosed
US-20200139433-A1 METHOD FOR PRODUCING SURFACE-MODIFIED METAL OXIDE FINE PARTICLE, METHOD FOR PRODUCING IMPROVED METAL OXIDE FINE PARTICLES, SURFACE-MODIFIED METAL OXIDE FINE PARTICLES, AND METAL OXIDE FINE PARTICLE DISPERSION LIQUID TOKYO OHKA KOGYO CO., LTD. (JP) 2020-05-07 — — US disclosed
US-20190300674-A1 HYDROGEN BARRIER AGENT, HYDROGEN BARRIER FILM FORMING COMPOSITION, HYDROGEN BARRIER FILM, METHOD FOR PRODUCING HYDROGEN BARRIER FILM, AND ELECTRONIC ELEMENT TOKYO OHKA KOGYO CO., LTD. (JP) 2019-10-03 — — US disclosed
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