SCHEMBL12419261

SCHEMBL12419261

CCC(C)(CC)c1ccc(-c2ccc3c(-c4ccccc4)c4cc(-c5ccc(Nc6cccc(CCCc7ccc8c(c7)CC8)c6)cc5)ccc4c(-c4ccccc4)c3c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SERPINE1 P05121 1/20 0.37
▸ MAPKAPK2 P49137 2/20 0.33
▸ FDFT1 P37268 1/20 0.32
▸ PPARA Q07869 1/20 0.32
▸ KIF11 P52732 1/20 0.32
▸ FFAR1 O14842 1/20 0.31
▸ CCR5 P51681 2/20 0.30
▸ MAPK8 P45983 1/20 0.30
▸ MMP2 P08253 1/20 0.30
▸ MMP3 P08254 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
SCHEMBL12418228 0.90 KIF11 (0.34) SERPINE1FDFT1KIF11
SCHEMBL12418229 0.86 KIF11 (0.37) SERPINE1FDFT1KIF11
SCHEMBL12653315 0.86 KIF11 (0.37) SERPINE1FDFT1KIF11
SCHEMBL12418396 0.84 S1PR1 (0.35) SERPINE1FFAR1CCR5MMP2MMP3
SCHEMBL14652900 0.83 SERPINE1 (0.35) SERPINE1KIF11
SCHEMBL12419188 0.83 S1PR1 (0.33) SERPINE1FDFT1KIF11FFAR1
SCHEMBL12418231 0.83 DRD2 (0.35) MAPK8
SCHEMBL12793986 0.83 KIF11 (0.39) FDFT1KIF11
SCHEMBL12418398 0.80 GRIN2B (0.33) SERPINE1CCR5MMP2MMP3
SCHEMBL12653272 0.79 DGAT1 (0.39) SERPINE1KIF11CCR5

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-20110198573-A1 CHARGE-TRANSPORTING POLYMER, COMPOSITION FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC EL DISPLAY, AND ORGANIC EL LIGHTING MITSUBISHI CHEMICAL CORPORATION (JP) 2011-08-18 — — US disclosed
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