SCHEMBL31059139

SCHEMBL31059139

Cc1cc2c(cn1)OC1(C2)CC(C)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 2/20 0.35
▸ HDAC8 Q9BY41 5/20 0.33
▸ LMNA P02545 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ GPR119 Q8TDV5 4/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ IMPDH2 P12268 3/20 0.32
▸ PIK3R1 P27986 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ NR1H2 P55055 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL23317472 1.00 ACACB (0.35) ACACBHDAC8LMNANPSR1GPR119
SCHEMBL23317063 0.90 ACACB (0.34) ACACBHDAC8GPR119IMPDH2PIK3R1
SCHEMBL31059155 0.90 ACACB (0.34) ACACBHDAC8GPR119IMPDH2PIK3R1
SCHEMBL31059151 0.89 ACACB (0.33) ACACBHDAC8GPR119PIK3R1PIK3CA
SCHEMBL23317062 0.89 ACACB (0.33) ACACBHDAC8GPR119PIK3R1PIK3CA
SCHEMBL23317407 0.88 ACACB (0.33) ACACBHDAC8GPR119IMPDH2PIK3R1
SCHEMBL31059144 0.87 GPR119 (0.34) ACACBHDAC8GPR119PIK3R1PIK3CA
SCHEMBL23317527 0.87 GPR119 (0.33) ACACBHDAC8GPR119PIK3R1PIK3CA
SCHEMBL23317400 0.87 GPR119 (0.34) ACACBHDAC8GPR119PIK3R1PIK3CA
SCHEMBL31059160 0.87 GPR119 (0.33) ACACBHDAC8GPR119PIK3R1PIK3CA

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-114929709-B Spirocyclic O-glycoprotein-2-acetamido-2-deoxy-3-D-glucopyranoside inhibitors 比奥根MA公司 2024-08-30 — — CN disclosed
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