SCHEMBL29948201

SCHEMBL29948201

O=C(O)C1CCOc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.41
ITGB2 P05107 1/20 0.40
ICAM1 P05362 1/20 0.40
ITGAL P20701 1/20 0.40
PTGDR2 Q9Y5Y4 6/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TRPV1 Q8NER1 1/20 0.38

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
SCHEMBL30207743 1.00 SSTR4 (0.41) SSTR4ITGB2ICAM1ITGALPTGDR2
SCHEMBL769058 1.00 SSTR4 (0.41) SSTR4ITGB2ICAM1ITGALPTGDR2
SCHEMBL5847641 1.00 SSTR4 (0.41) SSTR4ITGB2ICAM1ITGALPTGDR2
SCHEMBL5847643 1.00 SSTR4 (0.41) SSTR4ITGB2ICAM1ITGALPTGDR2
SCHEMBL27833998 0.98 SSTR4 (0.40) SSTR4ITGB2ICAM1ITGALPTGDR2
Hydrochloric Acid SCHEMBL28001542 0.98 SSTR4 (0.40) SSTR4ITGB2ICAM1ITGALPTGDR2
Cyanate SCHEMBL27883107 0.92 PTGDR2 (0.41) PTGDR2
SCHEMBL7420482 0.90 NPC1 (0.40) SSTR4ITGB2ICAM1ITGALALDH1A1
SCHEMBL27675759 0.86 PTGDR2 (0.42) SSTR4PTGDR2SMN1; SMN2
SCHEMBL24075070 0.84 SSTR4 (0.40) SSTR4ITGB2ICAM1ITGALGAA

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-4077281-A1 ANTHELMINTIC COMPOUNDS COMPRISING A QUINOLINE STRUCTURE Intervet International B.V. (NL) 2022-10-26 EP disclosed