SCHEMBL6973031

SCHEMBL6973031

O=C(O)c1ccc(O)c(C(=O)/C=C/c2cccc(OCc3ccc4ccccc4n3)c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR1 Q9Y271 19/20 1.00
▸ CYSLTR2 Q9NS75 18/20 1.00
▸ GPBAR1 Q8TDU6 1/20 0.62

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
SCHEMBL6973035 1.00 CYSLTR1 (1.00) CYSLTR1CYSLTR2GPBAR1
SCHEMBL30384227 0.93 CYSLTR1 (1.00) CYSLTR1CYSLTR2GPBAR1
SCHEMBL30384617 0.93 CYSLTR1 (1.00) CYSLTR1CYSLTR2GPBAR1
SCHEMBL6970530 0.93 CYSLTR1 (1.00) CYSLTR1CYSLTR2GPBAR1
SCHEMBL6970525 0.93 CYSLTR1 (1.00) CYSLTR1CYSLTR2GPBAR1
SCHEMBL6176975 0.91 CYSLTR2 (1.00) CYSLTR1CYSLTR2GPBAR1
SCHEMBL6177481 0.91 CYSLTR2 (1.00) CYSLTR1CYSLTR2GPBAR1
Hydrochloric Acid SCHEMBL6970832 0.88 CYSLTR1 (0.82) CYSLTR1CYSLTR2GPBAR1
SCHEMBL6959443 0.88 CYSLTR1 (0.78) CYSLTR1CYSLTR2GPBAR1
Hydrochloric Acid SCHEMBL6970838 0.88 CYSLTR1 (0.82) CYSLTR1CYSLTR2GPBAR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0902007-B1 CHALCONE DERIVATIVES AND DRUGS CONTAINING THE SAME KOWA CO (JP) 2003-11-05 — — EP disclosed
EP-0902007-A1 CHALCONE DERIVATIVES AND DRUGS CONTAINING THE SAME KOWA CO. LTD. (JP) 1999-03-17 — — EP disclosed
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