SCHEMBL2139348

SCHEMBL2139348

CN(C)CCCCOC(=O)C1C2C=CC(C2)C1C(=O)OCCCCN(C)C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.41
CHRM2 P08172 2/20 0.39
CHRM4 P08173 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.37
KDM4E B2RXH2 6/20 0.37
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 1/20 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
SCHEMBL2142156 0.95 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2POLBHTTCHRM2
SCHEMBL2140593 0.89 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2POLBHTTCHRM2
SCHEMBL27948526 0.81 PPARG (0.50) ALDH1A1SMN1; SMN2POLBHTTLMNA
SCHEMBL31372435 0.81 PPARG (0.50) ALDH1A1SMN1; SMN2POLBHTTLMNA
SCHEMBL7911627 0.80 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2POLBHTTLMNA
SCHEMBL1451061 0.80 POLB (0.51) ALDH1A1SMN1; SMN2POLBHTTLMNA
SCHEMBL2138421 0.80 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2POLBCHRM2CHRM4
SCHEMBL7911633 0.79 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2POLBHTTLMNA
SCHEMBL5837306 0.78 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2POLBHTTLMNA
SCHEMBL18901559 0.78 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2POLBHTTLMNA

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