SCHEMBL13366844

SCHEMBL13366844

C=C(C)C(=O)OC1=C(c2cc(C3CC3)c(C)cc2C)C(=O)NC12CCN(OC)CC2

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 4/20 0.32
▸ ACACA Q13085 4/20 0.32

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
SCHEMBL2759785 0.86 ACACB (0.31) ACACBACACA
SCHEMBL2759784 0.86 ACACB (0.33) ACACBACACA
SCHEMBL249367 0.83 ACACB (0.44) ACACBACACA
SCHEMBL2759751 0.75 ACACB (0.38) ACACBACACA
SCHEMBL2759780 0.73 SMN1; SMN2 (0.33) ACACBACACA
SCHEMBL2759781 0.73 ACACB (0.30) ACACBACACA
SCHEMBL16581663 0.73 ACACB (0.40) ACACBACACA
SCHEMBL2759790 0.73 MMP2 (0.32) ACACBACACA
SCHEMBL2759789 0.73 MMP2 (0.33) ACACBACACA
SCHEMBL2759742 0.71 ACACB (0.36) ACACBACACA

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-2010052161-A2 HERBICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2010-05-14 — — WO disclosed
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