SCHEMBL3492552

SCHEMBL3492552

CCCCOCCC(N)N

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
CYP3A4 P08684 2/20 0.41
OPRM1 P35372 1/20 0.39
HTT P42858 2/20 0.38
MEN1 O00255 1/20 0.38
THRB P10828 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 1/20 0.35
DNM1 Q05193 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
SLC2A1 P11166 1/20 0.34

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
SCHEMBL7745531 0.91 HTT (0.50) TSHRCYP3A4OPRM1HTTMEN1
SCHEMBL4424301 0.90 TSHR (0.48) TSHRADRB2ADRB1ADRB3CYP3A4
SCHEMBL4433315 0.88 TSHR (0.46) TSHRADRB2ADRB1ADRB3CYP3A4
SCHEMBL10766116 0.88 TSHR (0.36) TSHRCYP3A4OPRM1HTTMEN1
SCHEMBL1274298 0.88 HTT (0.39) TSHRCYP3A4OPRM1HTTMEN1
SCHEMBL5178951 0.86 HTT (0.42) TSHRCYP3A4HTTMEN1THRB
SCHEMBL6659201 0.86 HTT (0.42) TSHRCYP3A4HTTMEN1THRB
SCHEMBL17262664 0.86 HTT (0.42) TSHRCYP3A4HTTMEN1THRB
SCHEMBL1342489 0.84
SCHEMBL10687484 0.83 OPRM1 (0.54) TSHRADRB2ADRB1ADRB3CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056392-A1 MICROSTRUCTURE AND MICRODOMAIN MICROARRAYS, METHODS OF MAKING SAME AND USES THEREOF ENERGY, UNITED STATES DEPARTMENT OF 2010-03-04 US disclosed
EP-1910826-A2 MICROSTRUCTURE AND MICRODOMAIN MICROARRAYS, METHODS OF MAKING AND USING THEREOF Arizona Board of Regents, acting for and on behalf of Arizona State University (US) 2008-04-16 EP disclosed
WO-2006138479-A2 MICROSTRUCTURE AND MICRODOMAIN MICROARRAYS, METHODS OF MAKING AND USING THEREOF ARIZONA BOARD OF REGENTS FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2006-12-28 WO disclosed