SCHEMBL22334012

SCHEMBL22334012

OCC1OC(n2ccc3ccccc32)C[C@H]1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB1 P08588 1/20 0.47
▸ DNMT1 P26358 1/20 0.47
▸ LMNA P02545 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ TK1 P04183 3/20 0.44
▸ PIM1 P11309 1/20 0.44
▸ CSNK2A2 P19784 1/20 0.44
▸ CSNK2B P67870 1/20 0.44
▸ CSNK2A1 P68400 1/20 0.44
▸ CSNK2A3 Q8NEV1 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ PMP22 Q01453 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ PNP P00491 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ PDE4D Q08499 1/20 0.43

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
SCHEMBL22333924 1.00 ADRB1 (0.47) ADRB1DNMT1LMNASMN1; SMN2TK1
SCHEMBL22333925 1.00 ADRB1 (0.47) ADRB1DNMT1LMNASMN1; SMN2TK1
SCHEMBL23982125 1.00 ADRB1 (0.47) ADRB1DNMT1LMNASMN1; SMN2TK1
SCHEMBL24687180 1.00 ADRB1 (0.47) ADRB1DNMT1LMNASMN1; SMN2TK1
SCHEMBL24690089 0.88 MAOB (0.40) ADRB1DNMT1LMNASMN1; SMN2TK1
SCHEMBL594778 0.85 ADK (0.45) ADRB1DNMT1LMNASMN1; SMN2TK1
SCHEMBL594779 0.85 ADK (0.45) ADRB1DNMT1LMNASMN1; SMN2TK1
SCHEMBL23982318 0.82 ADRB1 (0.46) ADRB1DNMT1LMNASMN1; SMN2TK1
SCHEMBL11915452 0.82 ADRB1 (0.49) ADRB1DNMT1LMNASMN1; SMN2TK1
SCHEMBL1799615 0.82 ADRB1 (0.46) ADRB1DNMT1LMNASMN1; SMN2TK1

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
EP-3692996-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AND METHODS OF USE Immune Sensor, LLC (US) 2020-08-12 — — EP disclosed
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