SCHEMBL2137357

SCHEMBL2137357

CCN(CC)CCOC(=O)C1C2C=CC(C2)C1C(=O)OCCN(CC)CC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 1/20 0.42
LMNA P02545 5/20 0.41
CYP2D6 P10635 4/20 0.41
CYP1A2 P05177 3/20 0.41
TSHR P16473 3/20 0.41
MAOA P21397 1/20 0.41
HTR3A P46098 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
CYP3A4 P08684 5/20 0.40
CHRM2 P08172 4/20 0.40
CHRM1 P11229 4/20 0.40
CHRM3 P20309 3/20 0.40
DRD1 P21728 2/20 0.40
DRD3 P35462 2/20 0.40
KCNH2 Q12809 2/20 0.40

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
SCHEMBL2140593 0.83 ALDH1A1 (0.46) POLBALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL1451666 0.81 POLB (0.54) POLBALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL2138397 0.79 ALDH1A1 (0.43) POLBALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL2138385 0.79 ALDH1A1 (0.43) POLBALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1451061 0.78 POLB (0.51) POLBALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL2142156 0.77 ALDH1A1 (0.44) POLBALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL1451358 0.77 POLB (0.57) POLBALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL10050523 0.77 POLB (0.57) POLBALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL19318635 0.77 POLB (0.57) POLBALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL9605855 0.77 POLB (0.57) POLBALDH1A1SMN1; SMN2MEN1KMT2A

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