SCHEMBL2135609

SCHEMBL2135609

O=C(OC1CCNCC1)C1CC2C=CC1C2

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
ALDH1A1 P00352 6/20 0.37
KMT2A Q03164 2/20 0.36
RAB9A P51151 1/20 0.36
POLB P06746 2/20 0.35
APEX1 P27695 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
ESR2 Q92731 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HPGD P15428 1/20 0.35
CHRM3 P20309 1/20 0.33
THRB P10828 1/20 0.31
MAPK1 P28482 1/20 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
SCHEMBL3365931 0.85 LMNA (0.47) KDM4ELMNAALDH1A1KMT2ARAB9A
SCHEMBL28630522 0.84 LMNA (0.46) KDM4ELMNAALDH1A1KMT2ARAB9A
SCHEMBL20375290 0.84 LMNA (0.46) KDM4ELMNAALDH1A1KMT2ARAB9A
SCHEMBL947840 0.84 LMNA (0.46) KDM4ELMNAALDH1A1KMT2ARAB9A
SCHEMBL11908671 0.84 LMNA (0.46) KDM4ELMNAALDH1A1KMT2ARAB9A
SCHEMBL2137300 0.82 LMNA (0.40) KDM4ELMNAALDH1A1KMT2ARAB9A
SCHEMBL13888469 0.81 KDM4E (0.44) KDM4ELMNAALDH1A1KMT2ARAB9A
SCHEMBL13888482 0.78 LMNA (0.41) KDM4ELMNAALDH1A1KMT2ARAB9A
SCHEMBL951446 0.78 MAPT (0.42) KDM4ELMNAALDH1A1KMT2ARAB9A
SCHEMBL5076190 0.77 KDM4E (0.36) KDM4ELMNACHRM3

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