SCHEMBL5873319

SCHEMBL5873319

CCCCCCCCc1cc(-n2nc3ccc(C(F)(F)F)cc3n2)c(O)c(C(C)(C)c2ccccc2)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.38
PLK1 P53350 2/20 0.36
S1PR4 O95977 3/20 0.33
S1PR1 P21453 3/20 0.33
S1PR5 Q9H228 2/20 0.33
ADORA3 P0DMS8 1/20 0.33
CNR2 P34972 1/20 0.33
UBE2M P61081 1/20 0.32
DCUN1D1 Q96GG9 1/20 0.32
HSD11B1 P28845 1/20 0.32
EIF4A1 P60842 1/20 0.32
PLK3 Q9H4B4 1/20 0.32
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PTGS2 P35354 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
SCHEMBL2638154 1.00 TRPV1 (0.38) TRPV1PLK1S1PR4S1PR1S1PR5
SCHEMBL6444240 0.92 NPC1 (0.33) TRPV1ADORA3CNR2LMNASMN1; SMN2
SCHEMBL2637632 0.91 TLR8 (0.34)
SCHEMBL8861274 0.90 NPC1 (0.38) ADORA3CNR2LMNAPTGS2
SCHEMBL4824480 0.90 NPC1 (0.38) ADORA3CNR2LMNAPTGS2
SCHEMBL8861271 0.90 NPC1 (0.38) ADORA3CNR2LMNAPTGS2
SCHEMBL13015016 0.89 NPC1 (0.38) TRPV1CNR2HSD11B1LMNAPTGS2
SCHEMBL2638398 0.89 KDM4E (0.34) LMNASMN1; SMN2
SCHEMBL16182319 0.86 FFAR1 (0.39)
SCHEMBL13546050 0.86 CNR2 (0.35) CNR2UBE2MDCUN1D1

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-7153588-B2 UV resistant naphthalate polyester articles 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-12-26 US claimed