SCHEMBL2139171

SCHEMBL2139171

CC(C)NCCOC(=O)C1CC2C=CC1C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.46
KMT2A Q03164 3/20 0.46
HPGD P15428 1/20 0.45
POLB P06746 3/20 0.44
RAB9A P51151 1/20 0.44
LMNA P02545 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 2/20 0.42
APEX1 P27695 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
ESR2 Q92731 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPK1 P28482 2/20 0.39
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 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
SCHEMBL14213298 0.82 ALDH1A1 (0.53) ALDH1A1KMT2AHPGDPOLBRAB9A
SCHEMBL10388301 0.82 ALDH1A1 (0.53) ALDH1A1KMT2AHPGDPOLBRAB9A
SCHEMBL13897067 0.82 ALDH1A1 (0.53) ALDH1A1KMT2AHPGDPOLBRAB9A
SCHEMBL12228736 0.81 ALDH1A1 (0.44) ALDH1A1KMT2AHPGDPOLBRAB9A
SCHEMBL2135886 0.81 ALDH1A1 (0.46) ALDH1A1KMT2AHPGDPOLBRAB9A
SCHEMBL2138978 0.80 ALDH1A1 (0.43) ALDH1A1POLBRAB9ALMNAKDM4E
SCHEMBL948162 0.79 ALDH1A1 (0.49) ALDH1A1KMT2AHPGDPOLBRAB9A
SCHEMBL22263657 0.79 ALDH1A1 (0.43) ALDH1A1KMT2AHPGDPOLBRAB9A
SCHEMBL14582389 0.79 ALDH1A1 (0.47) ALDH1A1KMT2AHPGDPOLBRAB9A
SCHEMBL19498813 0.79 LMNA (0.49) ALDH1A1KMT2AHPGDPOLBRAB9A

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 4 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
EP-1937734-A2 BIOCIDAL POLYMERS KE-KELIT Kunststoffwerk Gesellschaft m.b.H. (AT) 2008-07-02 EP disclosed
WO-2007045634-A2 BIOCIDAL POLYMERS KE KELIT KUNSTSTOFFWERK GESMBH (AT) 2007-04-26 WO disclosed