SCHEMBL9196850

SCHEMBL9196850

COC1=C(c2cccc(F)c2)C(=O)OC1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 6/20 0.67
PTGS2 P35354 2/20 0.54
CYP19A1 P11511 3/20 0.46

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
SCHEMBL9191850 0.83 PTGS1 (0.53) PTGS1CYP19A1
SCHEMBL9195197 0.83 PTGS1 (0.66) PTGS1PTGS2CYP19A1
SCHEMBL9193159 0.82 PTGS1 (0.46) PTGS1CYP19A1
SCHEMBL9193835 0.81 PTGS1 (0.46) PTGS1CYP19A1
SCHEMBL9192106 0.80 KMT2A (0.58) PTGS1PTGS2CYP19A1
SCHEMBL6340471 0.79 PTGS1 (0.71) PTGS1PTGS2CYP19A1
SCHEMBL9192586 0.78 KMT2A (0.55) PTGS1PTGS2CYP19A1
SCHEMBL2646659 0.76 PTGS1 (0.56) PTGS1PTGS2
SCHEMBL9193415 0.76 CYP19A1 (0.49) PTGS1CYP19A1
SCHEMBL9193200 0.74 PTGS1 (0.63) PTGS1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0423482-B1 5H-furan-2-one derivatives BAYER AG (DE) 1995-01-11 EP claimed
US-5094681-A HERBICIDAL 5H-FURAN-2-ONE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1992-03-10 US claimed
EP-0423482-A1 5H-furan-2-one derivatives BAYER AG (DE) 1991-04-24 EP claimed
EP-0423482-B1 5H-furan-2-one derivatives BAYER AG (DE) 1995-01-11 EP disclosed
US-5207817-A Heterocyclic amine derivatives BAYER AKTIENGESELLSCHAFT (DE) 1993-05-04 US disclosed
US-5094681-A HERBICIDAL 5H-FURAN-2-ONE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1992-03-10 US disclosed
EP-0423482-A1 5H-furan-2-one derivatives BAYER AG (DE) 1991-04-24 EP disclosed