SCHEMBL15070097

SCHEMBL15070097

O=C(OC1CCCC(O)C1)n1ccnc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.44
TPSAB1 Q15661 3/20 0.43
TPSD1 Q9BZJ3 3/20 0.43
TPSG1 Q9NRR2 3/20 0.43
HRH3 Q9Y5N1 1/20 0.33
CYP19A1 P11511 3/20 0.33
MAPT P10636 1/20 0.32
SERPINE1 P05121 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31

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
SCHEMBL15070096 0.85 TBXAS1 (0.50) TBXAS1TPSAB1TPSD1TPSG1HRH3
SCHEMBL29224134 0.83 TBXAS1 (0.49) TBXAS1TPSAB1TPSD1TPSG1HRH3
SCHEMBL12489940 0.83 TBXAS1 (0.49) TBXAS1TPSAB1TPSD1TPSG1HRH3
SCHEMBL21538792 0.78 TBXAS1 (0.40) TBXAS1TPSAB1TPSD1TPSG1
SCHEMBL21538849 0.78 TBXAS1 (0.38) TBXAS1TPSAB1TPSD1TPSG1
SCHEMBL29977895 0.75 TBXAS1 (0.43) TBXAS1TPSAB1TPSD1TPSG1MAPT
SCHEMBL28944847 0.75 TBXAS1 (0.44) TBXAS1TPSAB1TPSD1TPSG1HRH3
SCHEMBL20511895 0.75 TBXAS1 (0.44) TBXAS1TPSAB1TPSD1TPSG1HRH3
SCHEMBL26132942 0.74 TBXAS1 (0.43) TBXAS1TPSAB1TPSD1TPSG1MAPT
SCHEMBL12016571 0.74 TPSAB1 (0.44) TBXAS1TPSAB1TPSD1TPSG1HRH3

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
US-9162223-B2 Alkaline-stable chromatographic resins NORTH CAROLINA STATE UNIVERSITY (US) 2015-10-20 US disclosed
US-20130165539-A1 ALKALINE-STABLE CHROMATOGRAPHIC RESINS NORTH CAROLINA STATE UNIVERSITY (US) 2013-06-27 US disclosed