SCHEMBL31487466

SCHEMBL31487466

C=CCn1cnc(C(=O)OC)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.42
▸ ALDH1A1 P00352 5/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ ADRB3 P13945 1/20 0.40
▸ TMEM97 Q5BJF2 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ GRK6 P43250 1/20 0.37
▸ POLB P06746 3/20 0.34
▸ HPGD P15428 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ OPRD1 P41143 1/20 0.34
▸ MAPT P10636 3/20 0.33
▸ CYP4F2 P78329 1/20 0.33
▸ CYP4A11 Q02928 1/20 0.33
▸ LMNA P02545 1/20 0.33

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
SCHEMBL21202361 0.84 NOTUM (0.42) NOTUMALDH1A1ALOX15ADRB3TMEM97
SCHEMBL24842033 0.82 ADRB3 (0.41) NOTUMADRB3TMEM97HRH3F2
SCHEMBL28868915 0.80 L3MBTL1 (0.32) ALDH1A1L3MBTL1GAATSHRSMN1; SMN2
SCHEMBL7464070 0.80 ADRB3 (0.46) NOTUMADRB3TMEM97HRH3POLB
SCHEMBL4784720 0.80 NOTUM (0.46) NOTUMALDH1A1ADRB3TMEM97HRH3
SCHEMBL4672515 0.79 NOTUM (0.44) NOTUMADRB3TMEM97HRH3POLB
SCHEMBL15199612 0.78 ADRB3 (0.44) NOTUMALDH1A1ADRB3TMEM97HRH3
SCHEMBL22754005 0.77 NOTUM (0.32) NOTUMADRB3TMEM97HRH3
SCHEMBL31728124 0.76 NOTUM (0.43) NOTUMALDH1A1ADRB3TMEM97HRH3
SCHEMBL24876846 0.76 NOTUM (0.48) NOTUMALDH1A1ALOX15ADRB3TMEM97

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
WO-2025058977-A1 MODULATORS OF CORONAVIRUS 3C-LIKE PROTEASE AND USES THEREOF Vir Biotechnology, Inc. (US) 2025-03-20 — — WO disclosed
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