SCHEMBL31059151

SCHEMBL31059151

CC1CC2(Cc3cc(Cl)ncc3O2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 2/20 0.33
▸ PIK3R1 P27986 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ GPR119 Q8TDV5 6/20 0.31
▸ CDK9 P50750 1/20 0.31
▸ NR1H2 P55055 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.31
▸ HDAC8 Q9BY41 2/20 0.31
▸ GRM5 P41594 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ USP30 Q70CQ3 1/20 0.30
▸ OXTR P30559 1/20 0.30
▸ AVPR1A P37288 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
SCHEMBL23317062 1.00 ACACB (0.33) ACACBPIK3R1PIK3CAGPR119CDK9
SCHEMBL31059139 0.89 ACACB (0.35) ACACBPIK3R1PIK3CAGPR119NR1H2
SCHEMBL31059155 0.89 ACACB (0.34) ACACBPIK3R1PIK3CAGPR119NR1H2
SCHEMBL23317063 0.89 ACACB (0.34) ACACBPIK3R1PIK3CAGPR119NR1H2
SCHEMBL23317472 0.89 ACACB (0.35) ACACBPIK3R1PIK3CAGPR119NR1H2
SCHEMBL23317407 0.87 ACACB (0.33) ACACBPIK3R1PIK3CAGPR119NR1H2
SCHEMBL31059144 0.86 GPR119 (0.34) ACACBPIK3R1PIK3CAGPR119NR1H2
SCHEMBL23317400 0.86 GPR119 (0.34) ACACBPIK3R1PIK3CAGPR119NR1H2
SCHEMBL23317527 0.86 GPR119 (0.33) ACACBPIK3R1PIK3CAGPR119NR1H2
SCHEMBL31059160 0.86 GPR119 (0.33) ACACBPIK3R1PIK3CAGPR119NR1H2

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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