SCHEMBL4586916

SCHEMBL4586916

O=C(NCCCP(=O)(Oc1ccccc1)Oc1ccccc1)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.60
▸ LMNA P02545 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ TGM2 P21980 1/20 0.54
▸ KEAP1 Q14145 2/20 0.53
▸ NFE2L2 Q16236 2/20 0.53
▸ ELANE P08246 2/20 0.51
▸ PRTN3 P24158 2/20 0.51
▸ KLK1 P06870 2/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ MAPT P10636 1/20 0.49
▸ TP53 P04637 1/20 0.47
▸ F2 P00734 2/20 0.46
▸ PLAU P00749 2/20 0.46
▸ PLAT P00750 2/20 0.46
▸ FOLH1 Q04609 1/20 0.46
▸ KLK8 O60259 1/20 0.46
▸ PLG P00747 1/20 0.46
▸ KLK4 Q9Y5K2 1/20 0.46

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
SCHEMBL13538361 0.92 LMNA (0.58) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL14002292 0.90 HTT (0.60) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL14001809 0.85 PRTN3 (0.49) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL3362572 0.83 HTT (0.67) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL5945564 0.83 LMNA (0.57) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL18254066 0.81 HTT (0.81) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL13725383 0.81 ELANE (0.51) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL13729438 0.81 HTT (0.50) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL15346534 0.80 HTT (0.79) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL9874334 0.80 HTT (0.79) HTTLMNASMN1; SMN2TGM2KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1585751-A4 PEPTIDE DEFORMYLASE ACTIVATED PRODRUGS CELMED ONCOLOGY USA INC (CA) 2008-08-13 — — EP disclosed
US-20070190523-A1 Method and compositions for identifying anti-hiv therapeutic compounds GILEAD SCIENCES, INC. 2007-08-16 — — US disclosed
EP-1585751-A2 PEPTIDE DEFORMYLASE ACTIVATED PRODRUGS Celmed Oncology (USA), Inc. (CA) 2005-10-19 — — EP disclosed
WO-2004043400-A2 PEPTIDE DEFORMYLASE ACTIVATED PRODRUGS CELMED ONCOLOGY (USA), INC. (CA) 2004-05-27 — — WO disclosed
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