SCHEMBL2140237

SCHEMBL2140237

O=C(OC1CCNCC1)C1C2C=CC(C2)C1C(=O)OC1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
POLB P06746 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CHRM3 P20309 1/20 0.35
LMNA P02545 1/20 0.35
ADRA2A P08913 1/20 0.34
HTT P42858 1/20 0.33
FABP7 O15540 1/20 0.33
FABP5 Q01469 1/20 0.33
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
TSHR P16473 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32

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
SCHEMBL3288497 0.83 FABP7 (0.41) ALDH1A1POLBSMN1; SMN2LMNAHTT
SCHEMBL3286002 0.83 FABP7 (0.45) ALDH1A1POLBSMN1; SMN2LMNAHTT
SCHEMBL3288527 0.81 FABP7 (0.47) ALDH1A1POLBSMN1; SMN2LMNAFABP7
SCHEMBL1614779 0.81 FABP7 (0.47) ALDH1A1POLBSMN1; SMN2LMNAFABP7
SCHEMBL2137771 0.80 ADRA2A (0.38) ALDH1A1POLBSMN1; SMN2LMNAADRA2A
SCHEMBL5837269 0.77 FABP7 (0.51) ALDH1A1POLBSMN1; SMN2LMNAFABP7
SCHEMBL5837271 0.77 FABP7 (0.51) ALDH1A1POLBSMN1; SMN2LMNAFABP7
SCHEMBL2135609 0.77 KDM4E (0.44) ALDH1A1POLBCHRM3LMNAAPEX1
SCHEMBL15611584 0.76 FABP7 (0.54) ALDH1A1POLBSMN1; SMN2LMNAFABP7
SCHEMBL3367480 0.75 MAPT (0.46) ALDH1A1POLBSMN1; SMN2LMNAHTT

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