SCHEMBL20320246

SCHEMBL20320246

CC#Cc1ccc(C2C(=O)[C@@H]3C4CCC(O4)[C@@H]3C2=O)c(OC)c1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.35
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
CA2 P00918 2/20 0.32
CYP11B2 P19099 3/20 0.32
CRBN Q96SW2 1/20 0.31
GAA P10253 1/20 0.31
BACE1 P56817 1/20 0.31
PPP1CA P62136 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
NR3C2 P08235 2/20 0.30
NR3C1 P04150 1/20 0.30
PGR P06401 1/20 0.30
AR P10275 1/20 0.30
CYP19A1 P11511 1/20 0.30

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
SCHEMBL21840254 1.00 TLR9 (0.35) TLR9MEN1NPC1RAB9AKMT2A
SCHEMBL21938529 1.00 TLR9 (0.35) TLR9MEN1NPC1RAB9AKMT2A
SCHEMBL20320268 1.00 TLR9 (0.35) TLR9MEN1NPC1RAB9AKMT2A
SCHEMBL22906391 0.92 TLR9 (0.32) TLR9
SCHEMBL21938725 0.88 ALDH1A1 (0.34) MEN1KMT2AGAAKDM4ENR3C2
SCHEMBL21939051 0.88 HTR2C (0.32)
SCHEMBL21938595 0.86 ACACB (0.34) MEN1RAB9AKMT2AGAANPSR1
SCHEMBL22906318 0.84 TLR9 (0.32) TLR9
SCHEMBL21938527 0.84 TLR9 (0.32) TLR9
SCHEMBL22906396 0.84 TLR9 (0.32) TLR9

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
EP-3555102-B1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2021-01-20 EP disclosed
WO-2018114584-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2018-06-28 WO disclosed