SCHEMBL2139733

SCHEMBL2139733

CC(CN(C)C)OC(=O)C1C2C=CC(C2)C1C(=O)OC(C)CN(C)C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 2/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.35
LMNA P02545 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.30
SLC6A3 Q01959 3/20 0.30
SLC6A4 P31645 2/20 0.30

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
SCHEMBL3364488 0.81 POLB (0.44) ALDH1A1SMN1; SMN2POLBTSHRHTT
SCHEMBL2138834 0.79 ALDH1A1 (0.48) ALDH1A1POLBTSHRHSD17B10LMNA
SCHEMBL102611 0.77 SMN1; SMN2 (0.43) ALDH1A1SMN1; SMN2POLBHTTSLC6A3
SCHEMBL24037757 0.77 SMN1; SMN2 (0.43) ALDH1A1SMN1; SMN2POLBHTTSLC6A3
SCHEMBL1356889 0.73 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2POLBTSHRHTT
SCHEMBL5837306 0.73 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2POLBTSHRHTT
SCHEMBL3368002 0.72 POLB (0.42) ALDH1A1SMN1; SMN2POLBTSHRHTT
SCHEMBL3294377 0.72 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2POLBTSHRHTT
SCHEMBL3363662 0.71 POLB (0.51) ALDH1A1SMN1; SMN2POLBTSHRLMNA
SCHEMBL10072300 0.71 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2POLBHTTKDM4E

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