SCHEMBL9204222

SCHEMBL9204222

CCOP(=O)(CCNCCNC(=O)OCc1ccccc1)OCC

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ HTT P42858 1/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ MAPT P10636 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.47
▸ TGM2 P21980 1/20 0.46
▸ KEAP1 Q14145 2/20 0.45
▸ NFE2L2 Q16236 2/20 0.45
▸ SLC1A3 P43003 1/20 0.44
▸ SLC1A1 P43005 1/20 0.44
▸ CTSL P07711 1/20 0.44
▸ CTSB P07858 1/20 0.44
▸ CTSS P25774 1/20 0.44
▸ CTSK P43235 1/20 0.44

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
SCHEMBL1439677 0.94 LMNA (0.57) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL9202853 0.93 HTT (0.55) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL13853971 0.88 HTT (0.58) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL21338348 0.85 LMNA (0.63) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL7282990 0.84 HSD17B10 (0.56) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL5019074 0.84 LMNA (0.73) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL14985738 0.83 LMNA (0.63) LMNASMN1; SMN2HTTL3MBTL1MAPT
Hydrochloric Acid SCHEMBL4506331 0.82 LMNA (0.71) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL1440479 0.82 LMNA (0.56) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL1442202 0.82 LMNA (0.56) LMNASMN1; SMN2HTTL3MBTL1MAPT

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
EP-0496561-B1 [[(2-Amino-3,4-dioxo-1-cyclobuten-1-yl)amino]alkyl]-acid derivatives AMERICAN HOME PROD (US) 1995-03-15 — — EP disclosed
US-5168103-A Neuroprotectants, anticonvulsants AMERICAN HOME PRODUCTS CORPORATION (US) 1992-12-01 — — US disclosed
EP-0496561-A2 [[(2-Amino-3,4-dioxo-1-cyclobuten-1-yl)amino]alkyl]-acid derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1992-07-29 — — EP disclosed
Send feedback