SCHEMBL10311583

SCHEMBL10311583

[CH2+][CH-]CCCCCOc1ccc(CCC2CCC(c3ccc(OCCCCCCOc4ccc(C)cc4)c(F)c3)CC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.38
PPARA Q07869 2/20 0.38
KCNH2 Q12809 3/20 0.34
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
FFAR4 Q5NUL3 2/20 0.32
KDM4E B2RXH2 1/20 0.32
FFAR1 O14842 2/20 0.32
PPARD Q03181 1/20 0.32
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31
LTB4R Q15722 1/20 0.31
LTB4R2 Q9NPC1 1/20 0.31

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
SCHEMBL13402118 0.93 PPARG (0.40) PPARGPPARAKCNH2ITGB3ITGA2B
SCHEMBL13402129 0.89 PPARG (0.40) PPARGPPARA
SCHEMBL10311515 0.78 KDM1A (0.35) PPARGPPARAFFAR4
SCHEMBL10311570 0.75 ITGB3 (0.35) PPARGPPARAITGB3ITGA2BFFAR4
SCHEMBL10311541 0.75 KDM5A (0.30)
SCHEMBL11062830 0.72 THRA (0.42)
SCHEMBL11056988 0.72 THRA (0.42)
SCHEMBL11058882 0.72 THRA (0.42)
SCHEMBL11063257 0.72 THRA (0.42)
SCHEMBL11062490 0.72 THRA (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420764-B2 Compound having silsesquioxane skeleton and its polymer JNC CORPORATION (JP) 2013-04-16 US disclosed
US-8236917-B2 Compound having silsesquioxane skeleton and its polymer JNC CORPORATION (JP) 2012-08-07 US disclosed
US-20120178894-A1 COMPOUND HAVING SILSESQUIOXANE SKELETON AND ITS POLYMER INAGAKI JYUN-ICHI (JP) 2012-07-12 US disclosed
US-20100240855-A1 Compound having silsesquioxane skeleton and its polymer JNC CORPORATION (JP) 2010-09-23 US disclosed