SCHEMBL18559017

SCHEMBL18559017

NCCCNC(=O)CCCC(=O)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 15/20 0.60
▸ CA1 P00915 14/20 0.59
▸ CA2 P00918 14/20 0.59
▸ CA12 O43570 6/20 0.59
▸ CA14 Q9ULX7 2/20 0.58
▸ CA7 P43166 2/20 0.58
▸ USP2 O75604 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ ALB P02768 2/20 0.54
▸ ESR1 P03372 1/20 0.53

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
SCHEMBL13598774 0.89 CA9 (0.55) CA9CA1CA2CA12CA14
SCHEMBL17067944 0.88 CA9 (0.61) CA9CA1CA2CA12CA14
SCHEMBL18517643 0.87 CA9 (0.70) CA9CA1CA2CA12CA14
SCHEMBL14426895 0.86 USP2 (0.68) CA9CA1CA2CA12CA14
SCHEMBL13915130 0.85 CA9 (0.73) CA9CA1CA2CA12CA14
SCHEMBL12793932 0.84 CA9 (0.66) CA9CA1CA2CA12CA14
SCHEMBL20115479 0.84 CA9 (0.68) CA9CA1CA2CA12CA14
SCHEMBL20622624 0.83 CA9 (0.75) CA9CA1CA2CA12CA14
SCHEMBL20059101 0.83 CA9 (0.64) CA9CA1CA2CA12CA14
SCHEMBL2742845 0.83 CA9 (0.58) CA9CA1CA2CA12CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2793027-B1 Unnatural reactive amino acid genetic code additions SCRIPPS RESEARCH INST (US) 2019-11-13 — — EP disclosed
US-9797908-B2 Unnatural reactive amino acid genetic code additions THE SCRIPPS RESEARCH INSTITUTE (US) 2017-10-24 — — US disclosed
US-9580721-B2 Expanding the eukaryotic genetic code The Scripps Reserach Institute (US) 2017-02-28 — — US disclosed
Send feedback