SCHEMBL2137300

SCHEMBL2137300

O=C(OC1CCCNC1)C1CC2C=CC1C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 5/20 0.34
KMT2A Q03164 3/20 0.34
RAB9A P51151 1/20 0.34
POLB P06746 2/20 0.33
APEX1 P27695 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
ESR2 Q92731 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HPGD P15428 1/20 0.33
SLC6A1 P30531 2/20 0.33
SLC6A11 P48066 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLC6A13 Q9NSD5 1/20 0.33
ADRA2A P08913 1/20 0.32

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 0.84 LMNA (0.47) LMNAKDM4EALDH1A1KMT2ARAB9A
SCHEMBL2135609 0.82 KDM4E (0.44) LMNAKDM4EALDH1A1KMT2ARAB9A
SCHEMBL28630522 0.82 LMNA (0.46) LMNAKDM4EALDH1A1KMT2ARAB9A
SCHEMBL20375290 0.82 LMNA (0.46) LMNAKDM4EALDH1A1KMT2ARAB9A
SCHEMBL11908671 0.82 LMNA (0.46) LMNAKDM4EALDH1A1KMT2ARAB9A
SCHEMBL947840 0.82 LMNA (0.46) LMNAKDM4EALDH1A1KMT2ARAB9A
SCHEMBL2137771 0.80 ADRA2A (0.38) LMNAKDM4EALDH1A1KMT2APOLB
SCHEMBL5074398 0.80 LMNA (0.33) LMNAKDM4EKMT2ASLC6A1SLC6A11
SCHEMBL2141104 0.74 LMNA (0.41) LMNAKDM4EALDH1A1KMT2ARAB9A
SCHEMBL13888469 0.74 KDM4E (0.44) LMNAKDM4EALDH1A1KMT2ARAB9A

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