SCHEMBL13063741

SCHEMBL13063741

CCCCOC(C)(C)CON

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.50
ADRB1 P08588 1/20 0.50
ADRB3 P13945 1/20 0.50
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CYP3A4 P08684 1/20 0.30
TSHR P16473 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
SCHEMBL14160604 0.79 ADRB2 (0.35) ADRB2ADRB1ADRB3CYP3A4TSHR
SCHEMBL25919320 0.76 ADRB2 (0.42) ADRB2ADRB1ADRB3CA1CA2
SCHEMBL3290589 0.75 TSHR (0.41) ADRB2ADRB1ADRB3CA1CA2
SCHEMBL8987497 0.75 ADRB2 (0.39) ADRB2ADRB1ADRB3CA1CA2
Ammonia Solution, Strong SCHEMBL27502470 0.74 ADRB2 (0.40) ADRB2ADRB1ADRB3CA1CA2
SCHEMBL30940577 0.73 ADRB2 (0.38) ADRB2ADRB1ADRB3CA1CA2
SCHEMBL4921403 0.73 ADRB2 (0.39) ADRB2ADRB1ADRB3CA1CA2
SCHEMBL7447362 0.71 CYP3A4 (0.37) ADRB2ADRB1ADRB3CA1CA2
SCHEMBL13825811 0.71 ADRB2 (0.36) ADRB2ADRB1ADRB3CYP3A4TSHR
SCHEMBL11003484 0.71 TSHR (0.42) ADRB2ADRB1ADRB3CA1CA2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010127159-A2 POLYMERIC MICELLES FOR POLYNUCLEOTIDE ENCAPSULATION INTEZYNE TECHNOLOGIES, INCORPORATED (US) 2010-11-04 WO disclosed
WO-2010127154-A1 POLYMERS FOR POLYNUCLEOTIDE ENCAPSULATION INTEZYNE TECHNOLOGIES, INCORPORATED (US) 2010-11-04 WO disclosed