SCHEMBL30420159

SCHEMBL30420159

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ccc(Br)c(F)n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.43
SYK P43405 1/20 0.36
BACE1 P56817 4/20 0.35
SOS1 Q07889 1/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
PAX8 Q06710 1/20 0.31
PDPK1 O15530 1/20 0.31
BACE2 Q9Y5Z0 1/20 0.30
GRM2 Q14416 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
USP30 Q70CQ3 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
SCHEMBL24103634 1.00 SSTR4 (0.43) SSTR4SYKBACE1SOS1HDAC1
SCHEMBL30075039 0.87 SSTR4 (0.39) SSTR4BACE1HDAC1HDAC8HDAC6
SCHEMBL21566105 0.87 SSTR4 (0.39) SSTR4BACE1HDAC1HDAC8HDAC6
SCHEMBL20580580 0.84 SSTR4 (0.38) SSTR4SYKSOS1PAX8MEN1
SCHEMBL29863332 0.82 SSTR4 (0.35) SSTR4SYKBACE1PAX8BACE2
SCHEMBL16753375 0.82 SSTR4 (0.35) SSTR4SYKBACE1PAX8BACE2
SCHEMBL24102996 0.82 SSTR4 (0.38) SSTR4SYKBACE1SOS1
SCHEMBL24103619 0.81 SSTR4 (0.37) SSTR4SYKSOS1PAX8NPC1
SCHEMBL22980358 0.81 SSTR4 (0.37) SSTR4SYKSOS1PAX8
SCHEMBL23107325 0.81 SSTR4 (0.37) SSTR4SYKBACE1SOS1PAX8

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
CN-116209664-A Small molecule modulators of IL-17 利奥制药有限公司 2023-06-02 CN disclosed