SCHEMBL29956446

SCHEMBL29956446

O=CCCCCc1ncc[nH]1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.56
TERT O14746 1/20 0.47
ALOX15 P16050 1/20 0.39
TAAR1 Q96RJ0 8/20 0.38
FDPS P14324 1/20 0.38
HTR1A P08908 1/20 0.37
HRH4 Q9H3N8 1/20 0.33
NAMPT P43490 2/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL238669 0.98 TBXAS1 (0.58) TBXAS1TERTALOX15TAAR1FDPS
SCHEMBL6583649 0.94 TBXAS1 (0.53) TBXAS1TERTALOX15TAAR1FDPS
SCHEMBL301422 0.86
SCHEMBL3431746 0.84 TBXAS1 (0.66) TBXAS1TERTALOX15TAAR1FDPS
SCHEMBL503743 0.82 TBXAS1 (0.69) TBXAS1TERTALOX15TAAR1FDPS
SCHEMBL28062565 0.82 TBXAS1 (0.69) TBXAS1TERTALOX15TAAR1FDPS
SCHEMBL27191626 0.81 TBXAS1 (0.51) TBXAS1TERTALOX15TAAR1FDPS
SCHEMBL9777191 0.80 TBXAS1 (0.60) TBXAS1TERTALOX15TAAR1FDPS
SCHEMBL288127 0.79 TBXAS1 (0.49) TBXAS1TERTALOX15TAAR1NAMPT
Iodide SCHEMBL29143162 0.79 TBXAS1 (0.53) TBXAS1TERTALOX15TAAR1FDPS

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed