SCHEMBL28070953

SCHEMBL28070953

CC(C)(C)OC(=O)N1CCCCC1c1ccc(C#N)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.50
AR P10275 1/20 0.47
RIPK1 Q13546 1/20 0.44
SCD5 Q86SK9 1/20 0.42
CPT1A P50416 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP19A1 P11511 1/20 0.40
USP30 Q70CQ3 1/20 0.40
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
PTK2 Q05397 1/20 0.40
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL30281088 0.99 GPR119 (0.49) GPR119ARRIPK1SCD5CPT1A
SCHEMBL31421008 0.96 GPR119 (0.51) GPR119ARRIPK1SCD5NPC1
SCHEMBL21001077 0.92 GPR119 (0.52) GPR119ARRIPK1SCD5JAK2
SCHEMBL30280955 0.87 GPR119 (0.46) GPR119ARRIPK1SCD5NPC1
SCHEMBL30280984 0.84 GPR119 (0.47) GPR119ARJAK2JAK3PTK2
SCHEMBL30280998 0.84 GPR119 (0.47) GPR119ARRIPK1JAK2JAK3
SCHEMBL23646472 0.84 RIPK1 (0.48) RIPK1NPC1ALDH1A1TMEM97SIGMAR1
SCHEMBL21611486 0.84 RIPK1 (0.48) RIPK1NPC1ALDH1A1TMEM97SIGMAR1
Water SCHEMBL27902502 0.84 RIPK1 (0.62) GPR119RIPK1ALDH1A1TMEM97SIGMAR1
SCHEMBL1991706 0.83 RIPK1 (0.47) RIPK1NPC1ALDH1A1TMEM97SIGMAR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110177551-B Heterocyclic modulators of lipid synthesis 3-V生物科学股份有限公司 2023-02-17 CN disclosed
CN-105001225-B The heterocyclic modulators of lipid synthesis 3-V 生物科学公司 2018-04-06 CN disclosed
CN-104507928-B Heterocyclic modulators of lipid synthesis 3-V生物科学股份有限公司 2016-09-28 CN disclosed