SCHEMBL9192586

SCHEMBL9192586

COC1=C(c2ccc(-c3ccccc3)cc2)C(=O)OC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.55
PTGS1 P23219 5/20 0.50
PTGS2 P35354 7/20 0.49
ABCB11 O95342 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MT-CO2 P00403 1/20 0.49
HTR1A P08908 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
MC4R P32245 1/20 0.49
PDE4B Q07343 1/20 0.47
CYP19A1 P11511 1/20 0.46
ELANE P08246 1/20 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
SCHEMBL9192106 0.96 KMT2A (0.58) KMT2APTGS1PTGS2ABCB11ALDH1A1
SCHEMBL9193200 0.86 PTGS1 (0.63) KMT2APTGS1ALDH1A1CYP19A1
SCHEMBL9194318 0.86 PTGS1 (0.55) KMT2APTGS1PTGS2CYP19A1
SCHEMBL9197663 0.85 PTGS1 (0.47) KMT2APTGS1PTGS2CYP19A1
SCHEMBL9192631 0.85 PTGS1 (0.47) KMT2APTGS1CYP19A1
SCHEMBL9195197 0.85 PTGS1 (0.66) KMT2APTGS1PTGS2CYP19A1
SCHEMBL13943050 0.81 PTGS1 (0.43) KMT2APTGS1ALDH1A1CYP19A1
SCHEMBL13483248 0.81 KMT2A (0.47) KMT2APTGS1ALDH1A1CYP19A1
SCHEMBL9191850 0.79 PTGS1 (0.53) PTGS1CYP19A1
SCHEMBL9193415 0.78 CYP19A1 (0.49) 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