SCHEMBL14308491

SCHEMBL14308491

CC(C)CCC(=O)OC(C)CCOC(=O)CCC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.33
▸ CA1 P00915 2/20 0.32
▸ ADRA2A P08913 1/20 0.30
▸ ADRA1A P35348 1/20 0.30

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
SCHEMBL19941955 0.94 ADRA2A (0.33) CYP19A1ADRA2AADRA1A
SCHEMBL17472303 0.87 CYP19A1 (0.31) CYP19A1
SCHEMBL13729179 0.84 HTR2C (0.36) CYP19A1CA1ADRA2AADRA1A
SCHEMBL13496820 0.82 CA1 (0.39) CYP19A1CA1ADRA2AADRA1A
SCHEMBL14048717 0.80 DGKA (0.33) ADRA2AADRA1A
SCHEMBL6003547 0.79 ADRA2A (0.34) CYP19A1ADRA2AADRA1A
SCHEMBL14476316 0.77 — —
SCHEMBL4292777 0.76 CYP19A1 (0.49) CYP19A1CA1ADRA2AADRA1A
SCHEMBL20581538 0.75 DGKA (0.42) ADRA2AADRA1A
SCHEMBL421384 0.75 DGKA (0.42) ADRA2AADRA1A

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-2008011561-A2 END-MODIFIED POLY(BETA-AMINO ESTERS) AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-01-24 — — WO disclosed
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