SCHEMBL2137115

SCHEMBL2137115

CC(C)(C)NCCOC(=O)C1C2C=CC(C2)C1C(=O)OCCNC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
POLB P06746 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTT P42858 1/20 0.41
LMNA P02545 1/20 0.38
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
GAA P10253 1/20 0.34
RAB9A P51151 2/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
NPSR1 Q6W5P4 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
NPC1 O15118 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL2135886 0.80 ALDH1A1 (0.46) ALDH1A1POLBHTTLMNARAB9A
SCHEMBL2138978 0.78 ALDH1A1 (0.43) ALDH1A1POLBSMN1; SMN2HTTLMNA
SCHEMBL17536686 0.78 ALDH1A1 (0.45) ALDH1A1POLBSMN1; SMN2HTTLMNA
SCHEMBL1451666 0.76 POLB (0.54) ALDH1A1POLBSMN1; SMN2HTTLMNA
SCHEMBL2137309 0.76 POLB (0.44) ALDH1A1POLBSMN1; SMN2HTTLMNA
SCHEMBL28055746 0.75 ALDH1A1 (0.49) ALDH1A1POLBSMN1; SMN2HTTLMNA
SCHEMBL22604709 0.75 ALDH1A1 (0.49) ALDH1A1POLBSMN1; SMN2HTTLMNA
SCHEMBL13897070 0.75 ALDH1A1 (0.49) ALDH1A1POLBSMN1; SMN2HTTLMNA
SCHEMBL1104053 0.74 POLB (0.50) ALDH1A1POLBSMN1; SMN2HTTLMNA
SCHEMBL11515674 0.74 ALDH1A1 (0.51) ALDH1A1POLBSMN1; SMN2HTTLMNA

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