SCHEMBL9202853

SCHEMBL9202853

CCOP(=O)(CCNCCCNC(=O)OCc1ccccc1)OCC

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.55
▸ LMNA P02545 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ TGM2 P21980 1/20 0.50
▸ KEAP1 Q14145 2/20 0.49
▸ NFE2L2 Q16236 2/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ MAPT P10636 1/20 0.48
▸ HDAC3 O15379 1/20 0.46
▸ HDAC4 P56524 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC7 Q8WUI4 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ HDAC10 Q969S8 1/20 0.46
▸ HDAC11 Q96DB2 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ HDAC9 Q9UKV0 1/20 0.46
▸ HDAC5 Q9UQL6 1/20 0.46
▸ NCOR2 Q9Y618 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
SCHEMBL9204222 0.93 LMNA (0.53) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL1439677 0.91 LMNA (0.57) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL13853971 0.90 HTT (0.58) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL13854151 0.85 HTT (0.54) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL2402780 0.84 HTT (0.74) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL13725441 0.84 HTT (0.59) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL16558067 0.83 HTT (0.65) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL1299850 0.83 HTT (0.72) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL7282990 0.82 HSD17B10 (0.56) HTTLMNASMN1; SMN2L3MBTL1MAPT
SCHEMBL6223210 0.82 HTT (0.67) 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-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-5240946-A Anticonvulsants, nervous system disorders AMERICAN HOME PRODUCTS CORPORATION (US) 1993-08-31 — — US 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
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