SCHEMBL18474167

SCHEMBL18474167

COc1cc2c(C3CCCCC3)cn(C(=O)OC(C)(C)C)c2cc1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 4/20 0.46
TLR7 Q9NYK1 2/20 0.46
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PKM P14618 1/20 0.43
SRD5A1 P18405 1/20 0.43
SRD5A2 P31213 1/20 0.43
TRPC6 Q9Y210 1/20 0.41
APP P05067 2/20 0.40
PIM1 P11309 1/20 0.39
MARK3 P27448 1/20 0.39
MAP4K2 Q12851 1/20 0.39
CAMK2B Q13554 1/20 0.39
PIM3 Q86V86 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
AGTR2 P50052 1/20 0.39

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
SCHEMBL1777494 0.82 TLR9 (0.49) TLR9TLR7CNR1CNR2NPC1
SCHEMBL3101171 0.82 TLR9 (0.49) TLR9TLR7CNR1CNR2NPC1
SCHEMBL17417658 0.82 SRD5A1 (0.50) TLR9TLR7CNR1CNR2NPC1
SCHEMBL1748816 0.81 TLR9 (0.50) TLR9TLR7CNR1CNR2NPC1
SCHEMBL18474480 0.81 PDE4B (0.39) TLR9CNR1CNR2PIM1MARK3
SCHEMBL17423709 0.81 TLR9 (0.47) TLR9TLR7CNR1CNR2NPC1
SCHEMBL18474404 0.79 HTR2A (0.38) MEN1KMT2APIM1MARK3MAP4K2
SCHEMBL18474477 0.78 PDE4B (0.39) PIM1MARK3MAP4K2CAMK2BPIM3
SCHEMBL20580937 0.75 TLR9 (0.45) TLR9TLR7CNR1CNR2NPC1
SCHEMBL18474166 0.75 SRD5A1 (0.55) TLR9TLR7NPC1RAB9AMEN1

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-2017023894-A1 MTHFD2 INHIBITORS AND USES THEREOF RAZE THERAPEUTICS, INC. (US) 2017-02-09 WO disclosed