SCHEMBL10153824

SCHEMBL10153824

C=C/C(=C\C=C/C)N(c1ccc2c(c1)C(C)(C)c1cc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4cc(N(c6ccccc6)c6cccc7ccccc67)ccc4-5)c4ccccc34)ccc1-2)c1cccc2ccccc12

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 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
SCHEMBL13856312 0.84 SIGMAR1 (0.43) SIGMAR1
SCHEMBL14600353 0.84 SIGMAR1 (0.35) SIGMAR1
SCHEMBL21168402 0.82 SIGMAR1 (0.44) SIGMAR1
SCHEMBL13849921 0.81 PDK2 (0.31) —
SCHEMBL13989356 0.80 ALOX5 (0.35) SIGMAR1
SCHEMBL10153150 0.78 SIGMAR1 (0.34) SIGMAR1
SCHEMBL13907721 0.78 SIGMAR1 (0.36) SIGMAR1
SCHEMBL12014685 0.77 SIGMAR1 (0.32) SIGMAR1
SCHEMBL25775708 0.77 PDK2 (0.32) SIGMAR1
SCHEMBL16366106 0.77 SIGMAR1 (0.36) SIGMAR1

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
EP-1221434-B1 HYDROCARBON COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT MITSUI CHEMICALS INC (JP) 2012-06-27 — — EP disclosed
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