SCHEMBL5813039

SCHEMBL5813039

CCCCCCCCCCCCCCCCc1nc(CCCc2ccccc2)cn1CC

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SPNS2 Q8IVW8 2/20 0.54
TLR8 Q9NR97 2/20 0.52
CYP19A1 P11511 6/20 0.48
KCNH2 Q12809 2/20 0.44
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HSD11B1 P28845 1/20 0.42
ADORA1 P30542 1/20 0.41
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
TLR7 Q9NYK1 1/20 0.40

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
SCHEMBL5304291 1.00 SPNS2 (0.54) SPNS2TLR8CYP19A1KCNH2NPC1
SCHEMBL5291576 1.00 SPNS2 (0.54) SPNS2TLR8CYP19A1KCNH2NPC1
SCHEMBL5301984 1.00 SPNS2 (0.54) SPNS2TLR8CYP19A1KCNH2NPC1
SCHEMBL5295428 1.00 SPNS2 (0.54) SPNS2TLR8CYP19A1KCNH2NPC1
SCHEMBL5816581 1.00 SPNS2 (0.54) SPNS2TLR8CYP19A1KCNH2NPC1
SCHEMBL5292278 1.00 SPNS2 (0.54) SPNS2TLR8CYP19A1KCNH2NPC1
SCHEMBL5291727 1.00 SPNS2 (0.54) SPNS2TLR8CYP19A1KCNH2NPC1
SCHEMBL5291399 1.00 SPNS2 (0.54) SPNS2TLR8CYP19A1KCNH2NPC1
SCHEMBL5304624 1.00 SPNS2 (0.54) SPNS2TLR8CYP19A1KCNH2NPC1
SCHEMBL5285641 1.00 SPNS2 (0.54) SPNS2TLR8CYP19A1KCNH2NPC1

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
WO-2006131234-A1 COSMETIC COMPOSITIONS COMPRISING IONIC LIQUIDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-12-14 WO disclosed