SCHEMBL4138078

SCHEMBL4138078

C=CC(=O)OCCCCCCNC(=O)OC(C)(C)C

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.62
CA1 P00915 5/20 0.62
CA2 P00918 5/20 0.62
CA9 Q16790 5/20 0.62
TDP1 Q9NUW8 1/20 0.58
TSHR P16473 2/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP3A4 P08684 1/20 0.56
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.48
HPGD P15428 1/20 0.47
ACHE P22303 8/20 0.45

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
SCHEMBL759467 0.98 CA12 (0.61) CA12CA1CA2CA9TDP1
SCHEMBL759464 0.94 CA12 (0.55) CA12CA1CA2CA9TDP1
SCHEMBL757089 0.88 TDP1 (0.47) CA12CA1CA2CA9TDP1
SCHEMBL28006307 0.85 CA1 (0.46) CA12CA1CA2CA9TDP1
SCHEMBL19636118 0.83 TSHR (0.46) CA12CA1CA2CA9TDP1
SCHEMBL18353206 0.83 CA12 (0.59) CA12CA1CA2CA9TDP1
SCHEMBL18353139 0.83 CA12 (0.59) CA12CA1CA2CA9TDP1
SCHEMBL26574747 0.83 TSHR (0.66) TSHRALDH1A1CYP3A4HPGDACHE
SCHEMBL5190585 0.83 CA12 (0.70) CA12CA1CA2CA9TDP1
SCHEMBL13405231 0.82 TSHR (0.56) CA12CA1CA2CA9TDP1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9758607-B2 Polymer with antibacterial activity RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2017-09-12 US disclosed
US-9758607-B2 Polymer with antibacterial activity RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2017-09-12 US disclosed
US-9758607-B2 Polymer with antibacterial activity RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2017-09-12 US disclosed
US-20150105526-A1 POLYMER WITH ANTIBACTERIAL ACTIVITY RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK 2015-04-16 US disclosed
US-20150105526-A1 POLYMER WITH ANTIBACTERIAL ACTIVITY RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK 2015-04-16 US disclosed
US-20150105526-A1 POLYMER WITH ANTIBACTERIAL ACTIVITY RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK 2015-04-16 US disclosed
US-20090130419-A1 FOAM SHEET AND PRODUCTION PROCESS THEREOF OJI PAPER CO., LTD (JP) 2009-05-21 US disclosed
US-20060210785-A1 Foamed product in a sheet form and method for production thereof OJI PAPER CO., LTD. (JP) 2006-09-21 US disclosed
EP-1647570-A1 FOAMED PRODUCT IN A SHEET FORM AND METHOD FOR PRODUCTION THEREOF Oji Paper Co., Ltd. (JP) 2006-04-19 EP disclosed