SCHEMBL13617196

SCHEMBL13617196

CCC(C(=O)OCC(O)COC(=O)C1CCCCC1C(=O)OCC(COC(=O)C1CCCCC1C(=O)OCC(O)COC(=O)C(CC)(C(C)C)C(C)C)COC(=O)C1CCCCC1C(=O)OCC(O)COC(=O)C(CC)(C(C)C)C(C)C)(C(C)C)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
HMGCR P04035 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
SCHEMBL13607525 0.91 ADRB2 (0.41) ADRB2ADRB1ADRB3TP53CYP3A4
SCHEMBL13616554 0.91 ADRB2 (0.39) ADRB2ADRB1ADRB3TP53CYP3A4
SCHEMBL13617032 0.90 ADRB2 (0.40) ADRB2ADRB1ADRB3TP53CYP3A4
SCHEMBL13617034 0.90 ADRB2 (0.38) ADRB2ADRB1ADRB3TP53CYP3A4
SCHEMBL13617039 0.85 HMGCR (0.36) ADRB2ADRB1ADRB3HMGCR
SCHEMBL13607527 0.84 ADRB2 (0.41) ADRB2ADRB1ADRB3
SCHEMBL13617037 0.80 ADRB2 (0.33) ADRB2ADRB1ADRB3TP53CYP3A4
SCHEMBL13617035 0.80 ADRB2 (0.33) ADRB2ADRB1ADRB3TP53CYP3A4
SCHEMBL13617040 0.78 ADRB2 (0.36) ADRB2ADRB1ADRB3HMGCR
SCHEMBL13617026 0.76 ADRB2 (0.42) ADRB2ADRB1ADRB3

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
US-20090288706-A1 Hybrid Photovoltaic Cell Module RAMESH SWAMINATHAN 2009-11-26 US disclosed