SCHEMBL12948945

SCHEMBL12948945

Cc1cc(C)c(C2C(=O)/C(=C/C3CCCCC3)CC2OC(=O)C(C)(C)C)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 2/20 0.31
▸ TAS1R1 Q7RTX1 2/20 0.31
▸ TAS1R2 Q8TE23 2/20 0.31
▸ EGFR P00533 1/20 0.31

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
SCHEMBL10277066 0.82 EPHX2 (0.33) —
SCHEMBL10327222 0.70 EGFR (0.33) TAS1R3TAS1R1TAS1R2EGFR
SCHEMBL987772 0.66 EGFR (0.34) TAS1R3TAS1R1TAS1R2EGFR
SCHEMBL10327133 0.66 EGFR (0.34) TAS1R3TAS1R1TAS1R2EGFR
SCHEMBL10326926 0.66 EGFR (0.34) TAS1R3TAS1R1TAS1R2EGFR
SCHEMBL987774 0.66 EGFR (0.34) TAS1R3TAS1R1TAS1R2EGFR
SCHEMBL1076987 0.65 — —
SCHEMBL10326928 0.64 EGFR (0.33) TAS1R3TAS1R1TAS1R2EGFR
SCHEMBL986359 0.63 — —
SCHEMBL12239261 0.62 KDM4E (0.43) —

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
WO-2011007146-A1 HERBICIDALLY ACTIVE 2-(SUBSTITUTED-PHENYL)-CYCLOPENTANE-1,3-DIONE DERIVATIVES SYNGENTA LIMITED (GB) 2011-01-20 — — WO disclosed
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