SCHEMBL2137309

SCHEMBL2137309

CCCCNCCOC(=O)C1C2C=CC(C2)C1C(=O)OCCNCCCC

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ACHE P22303 7/20 0.37
LMNA P02545 1/20 0.36
PPARG P37231 2/20 0.35

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
SCHEMBL1451061 0.84 POLB (0.51) POLBALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL27948526 0.81 PPARG (0.50) POLBALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL31372435 0.81 PPARG (0.50) POLBALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL1451666 0.81 POLB (0.54) POLBALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL2136626 0.81 ALDH1A1 (0.45) POLBALDH1A1HTTKDM4ELMNA
SCHEMBL19323419 0.80 POLB (0.48) POLBALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL5836802 0.79 POLB (0.61) POLBALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL15612183 0.78 POLB (0.60) POLBALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL14566015 0.77 POLB (0.58) POLBALDH1A1SMN1; SMN2LMNAPPARG
SCHEMBL15612087 0.77 POLB (0.58) POLBALDH1A1SMN1; SMN2LMNAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148484-B2 Poly(bicyclo[2.2.1]hept-5-ene-2-carboxylic acid 2-(tert-butylamino)ethyl ester); Poly(bicyclo[2.2.1]hept-5-ene-2-carboxylic acid 2-(dimethylamino)ethyl ester); used for disinfecting, sterilizing, and preventing biofouling in closed or open industrial-water systems and cooling-water systems KE KELIT KUNSTSTOFFWERK GESMBH (AT) 2012-04-03 US disclosed
US-20080251460-A1 Biocidal Polymers KE KELIT KUNSTSTOFFWERK GESMBH (AT) 2008-10-16 US disclosed