SCHEMBL13402129

SCHEMBL13402129

CCCCCCCOc1ccc(CCC2CCC(c3ccc(OCCCCCCOc4ccc(C)cc4)c(F)c3)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.40
PPARA Q07869 2/20 0.40
SPHK1 Q9NYA1 6/20 0.38
S1PR3 Q99500 3/20 0.37
S1PR1 P21453 2/20 0.37
S1PR2 O95136 1/20 0.37
LPAR2 Q9HBW0 1/20 0.37
FAAH O00519 1/20 0.36
S1PR4 O95977 1/20 0.35
S1PR5 Q9H228 1/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SLCO1B3 Q9NPD5 1/20 0.35

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 0.96 PPARG (0.40) PPARGPPARAALDH1A1LMNA
SCHEMBL10311583 0.89 PPARG (0.38) PPARGPPARA
SCHEMBL11056988 0.83 THRA (0.42) SPHK1S1PR3S1PR1S1PR2LPAR2
SCHEMBL11060222 0.83 THRA (0.42) SPHK1S1PR3S1PR1S1PR2LPAR2
SCHEMBL11062490 0.83 THRA (0.42) SPHK1S1PR3S1PR1S1PR2LPAR2
SCHEMBL11062830 0.83 THRA (0.42) SPHK1S1PR3S1PR1S1PR2LPAR2
SCHEMBL11060243 0.83 THRA (0.42) SPHK1S1PR3S1PR1S1PR2LPAR2
SCHEMBL11063257 0.83 THRA (0.42) SPHK1S1PR3S1PR1S1PR2LPAR2
SCHEMBL11058882 0.83 THRA (0.42) SPHK1S1PR3S1PR1S1PR2LPAR2
SCHEMBL11066516 0.83 THRA (0.42) SPHK1S1PR3S1PR1S1PR2LPAR2

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-7705105-B2 A cyclic polymer of silsesquioxane skeleton with side chains formed byhydrosilation of an unsaturated end group containing an active polymerfunctional group; polyimidesiloxane copolymers; polyestersiloxane copolymers; high molecular weight; thin films; strength; heat resistance;waterproofing; CHISSO PETROCHEMICAL CORPORATION (JP) 2010-04-27 US disclosed
US-20070190344-A1 Verification of translation JNC CORPORATION (JP) 2007-08-16 US disclosed