SCHEMBL14600353

SCHEMBL14600353

CC1(C)c2cc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4cc(N(c6ccccc6)c6cccc7ccccc67)ccc4-5)c4ccccc34)ccc2-c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc21

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 6/20 0.35
▸ GPR84 Q9NQS5 1/20 0.31
▸ DHFR P00374 1/20 0.31
▸ PDK2 Q15119 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
SCHEMBL13989356 0.95 ALOX5 (0.35) SIGMAR1GPR84
SCHEMBL10153150 0.93 SIGMAR1 (0.34) SIGMAR1PDK2
SCHEMBL13907721 0.93 SIGMAR1 (0.36) SIGMAR1PDK2L3MBTL1
SCHEMBL12014685 0.92 SIGMAR1 (0.32) SIGMAR1DHFRPDK2
SCHEMBL25775708 0.92 PDK2 (0.32) SIGMAR1DHFRPDK2
SCHEMBL16366106 0.92 SIGMAR1 (0.36) SIGMAR1PDK2L3MBTL1
SCHEMBL16366605 0.92 SIGMAR1 (0.36) SIGMAR1PDK2L3MBTL1
SCHEMBL15138193 0.91 SIGMAR1 (0.37) SIGMAR1GPR84DHFRPDK2L3MBTL1
SCHEMBL14111973 0.91 SIGMAR1 (0.37) SIGMAR1GPR84DHFRPDK2L3MBTL1
SCHEMBL15495970 0.91 SIGMAR1 (0.37) SIGMAR1GPR84DHFRPDK2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166240-B2 Hydrocarbon compounds, materials for organic electroluminescent elements and organic electroluminescent elements MITSUI CHEMICALS, INC. (JP) 2007-01-23 — — US disclosed
US-7166240-B2 Hydrocarbon compounds, materials for organic electroluminescent elements and organic electroluminescent elements MITSUI CHEMICALS, INC. (JP) 2007-01-23 — — US disclosed
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