SCHEMBL9102214

SCHEMBL9102214

COC(=O)c1ccccc1CCC(O)c1cccc(/C=C/c2ccc3ccc(F)cc3n2)c1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR2 Q9NS75 2/20 0.45
▸ CYSLTR1 Q9Y271 2/20 0.45

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
SCHEMBL9102221 1.00 CYSLTR2 (0.45) CYSLTR2CYSLTR1
SCHEMBL202013 0.90 — —
SCHEMBL14285998 0.90 CYSLTR2 (0.42) CYSLTR2CYSLTR1
SCHEMBL457832 0.90 — —
SCHEMBL202012 0.90 — —
SCHEMBL202014 0.90 — —
SCHEMBL202015 0.90 — —
SCHEMBL8761819 0.90 — —
Water SCHEMBL1133112 0.89 — —
Water SCHEMBL2564078 0.89 — —

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
US-5427933-A Bioconversion MERCK & CO., INC. (US) 1995-06-27 — — US disclosed
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