SCHEMBL31059140

SCHEMBL31059140

CC1CC2(Cc3cc(NC4CC4)ncc3O2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.36
▸ RORC P51449 8/20 0.35
▸ GPR119 Q8TDV5 2/20 0.34
▸ SYK P43405 1/20 0.33
▸ CCNT1 O60563 1/20 0.33
▸ CCNE1 P24864 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ ACACB O00763 1/20 0.32
▸ USP30 Q70CQ3 1/20 0.32
▸ DDB1 Q16531 1/20 0.32
▸ CRBN Q96SW2 1/20 0.32
▸ NOS1 P29475 1/20 0.32
▸ NOS2 P35228 1/20 0.32

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
SCHEMBL29758598 1.00 MAPK1 (0.36) MAPK1RORCGPR119SYKCCNT1
SCHEMBL23317068 1.00 MAPK1 (0.36) MAPK1RORCGPR119SYKCCNT1
SCHEMBL23317063 0.86 ACACB (0.34) GPR119ACACB
SCHEMBL31059155 0.86 ACACB (0.34) GPR119ACACB
SCHEMBL31059139 0.86 ACACB (0.35) GPR119ACACB
SCHEMBL23317472 0.86 ACACB (0.35) GPR119ACACB
SCHEMBL23304675 0.86 HCAR3 (0.36) RORCCCNE1CDK2
SCHEMBL31059160 0.86 GPR119 (0.33) GPR119ACACBUSP30
SCHEMBL23317527 0.86 GPR119 (0.33) GPR119ACACBUSP30
SCHEMBL23317062 0.85 ACACB (0.33) GPR119ACACBUSP30

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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