SCHEMBL21868407

SCHEMBL21868407

CC1(C)c2ccccc2C2(c3ccccc3Oc3ccccc32)c2cc(-c3cccc(C(=N)OC(=N)c4ccccc4)c3)ccc21

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 1/20 0.33
▸ PRSS2 P07478 1/20 0.33
▸ PRSS3 P35030 1/20 0.33
▸ PGR P06401 1/20 0.33
▸ PDK2 Q15119 3/20 0.32
▸ RARA P10276 1/20 0.32
▸ RARB P10826 1/20 0.32
▸ RARG P13631 1/20 0.32
▸ BACE1 P56817 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
SCHEMBL21868224 0.90 DRD1 (0.30) —
SCHEMBL21867965 0.87 MEN1 (0.31) —
SCHEMBL21583275 0.85 PDK2 (0.39) PRSS1PRSS2PRSS3PDK2BACE1
SCHEMBL24293448 0.82 PRSS1 (0.33) PRSS1PRSS2PRSS3PGRPDK2
SCHEMBL24293333 0.78 MEN1 (0.39) RARARARBRARGBACE1
SCHEMBL21868288 0.78 RARA (0.37) RARARARBRARGBACE1
SCHEMBL21867602 0.77 MEN1 (0.38) RARARARBRARGBACE1
SCHEMBL21868594 0.77 MEN1 (0.41) RARARARBRARGBACE1
SCHEMBL21868209 0.77 PDK2 (0.38) PDK2BACE1
SCHEMBL21868714 0.77 RARA (0.36) RARARARBRARGBACE1

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
WO-2020067823-A1 ORGANIC ELECTROLUMINESCENT ELEMENT 주식회사 엘지화학 2020-04-02 — — WO disclosed
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