SCHEMBL2136203

SCHEMBL2136203

CC(C)N(CCOC(=O)C1CC2C=CC1C2)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.42
HPGD P15428 1/20 0.42
POLB P06746 3/20 0.41
KMT2A Q03164 2/20 0.41
RAB9A P51151 1/20 0.41
MAPK1 P28482 2/20 0.41
APEX1 P27695 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
ESR2 Q92731 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL2135483 0.84 ALDH1A1 (0.44) ALDH1A1HPGDPOLBKMT2ARAB9A
SCHEMBL5076849 0.84 ALDH1A1 (0.44) ALDH1A1HPGDPOLBKMT2ARAB9A
SCHEMBL14213298 0.82 ALDH1A1 (0.53) ALDH1A1HPGDPOLBKMT2ARAB9A
SCHEMBL13897067 0.82 ALDH1A1 (0.53) ALDH1A1HPGDPOLBKMT2ARAB9A
SCHEMBL10388301 0.82 ALDH1A1 (0.53) ALDH1A1HPGDPOLBKMT2ARAB9A
SCHEMBL2138385 0.82 ALDH1A1 (0.43) ALDH1A1HPGDPOLBKMT2ARAB9A
SCHEMBL12228736 0.81 ALDH1A1 (0.44) ALDH1A1HPGDPOLBKMT2ARAB9A
SCHEMBL2138397 0.80 ALDH1A1 (0.43) ALDH1A1POLBRAB9AESR2LMNA
SCHEMBL948162 0.79 ALDH1A1 (0.49) ALDH1A1HPGDPOLBKMT2ARAB9A
SCHEMBL2140558 0.79 ALDH1A1 (0.43) ALDH1A1HPGDPOLBKMT2ARAB9A

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