SCHEMBL24575950

SCHEMBL24575950

O=C(NCC1CCCO1)NCC1CCCO1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.72
HTT P42858 2/20 0.72
SMN1; SMN2 Q16637 2/20 0.68
USP2 O75604 1/20 0.68
TP53 P04637 1/20 0.66
ALOX12 P18054 1/20 0.66
KMT2A Q03164 3/20 0.64
MEN1 O00255 2/20 0.64
MAPT P10636 1/20 0.60
LMNA P02545 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.54
MCL1 Q07820 1/20 0.54

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
SCHEMBL14559553 0.91 HPGD (0.62) HPGDHTTSMN1; SMN2USP2TP53
SCHEMBL8260477 0.89 HPGD (0.64) HPGDHTTSMN1; SMN2USP2TP53
SCHEMBL6061649 0.86 SMN1; SMN2 (0.66) HPGDHTTSMN1; SMN2USP2TP53
SCHEMBL2864022 0.86 SMN1; SMN2 (0.66) HPGDHTTSMN1; SMN2USP2TP53
SCHEMBL4429350 0.86 SMN1; SMN2 (0.66) HPGDHTTSMN1; SMN2USP2TP53
SCHEMBL4420466 0.86 SMN1; SMN2 (0.66) HPGDHTTSMN1; SMN2USP2TP53
SCHEMBL18231584 0.84 SMN1; SMN2 (0.64) HPGDHTTSMN1; SMN2USP2TP53
SCHEMBL4812101 0.84 SMN1; SMN2 (0.64) HPGDHTTSMN1; SMN2USP2TP53
SCHEMBL10341245 0.84 SMN1; SMN2 (0.64) HPGDHTTSMN1; SMN2USP2TP53
SCHEMBL7979841 0.84 SMN1; SMN2 (0.64) HPGDHTTSMN1; SMN2USP2TP53

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
WO-2022135355-A1 METHOD FOR CATALYTICALLY ACTIVATING CARBON DIOXIDE AS CARBONYLATION REAGENT WITH INORGANIC SULFUR 内蒙古工业大学 2022-06-30 WO disclosed