SCHEMBL20438296

SCHEMBL20438296

COc1c2cc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc3c1OCCOCCOCCOCCOc1c(cc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc(c1OC)C3)C2

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.40
▸ CD69 Q07108 1/20 0.40
▸ TLR4 O00206 3/20 0.35
▸ CD14 P08571 3/20 0.35
▸ LY96 Q9Y6Y9 3/20 0.35
▸ CYP2A6 P11509 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
SCHEMBL12856784 0.74 LMNA (0.35) CD69CYP2A6
SCHEMBL14617493 0.69 ELANE (0.53) ELANECD69TLR4CD14LY96
SCHEMBL6690916 0.69 ELANE (0.45) ELANECD69TLR4CD14LY96
SCHEMBL13881648 0.66 DHODH (0.41) ELANECD69TLR4CD14LY96
SCHEMBL12549814 0.66 CD69 (0.46) ELANECD69TLR4CD14LY96
SCHEMBL15032873 0.65 PLK1 (0.50) —
SCHEMBL19648626 0.64 ELANE (0.36) ELANECD69TLR4CD14LY96
SCHEMBL21880335 0.64 PTGS1 (0.39) ELANECD69
SCHEMBL6976097 0.61 MAPT (0.36) ELANECD69
SCHEMBL5051101 0.61 ELANE (0.35) ELANECD69TLR4CD14LY96

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180215882-A1 SWELLABLE AND INSOLUBLE NANOFIBERS AND USE THEREOF IN THE TREATMENT OF ESSENTIALLY AQUEOUS EFFLUENTS AJELIS (FR) 2018-08-02 — — US disclosed
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