SCHEMBL8539776

SCHEMBL8539776

C=CCOc1c(CC)c(N)c(S(N)(=O)=O)c(CC)c1OCC=C

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
LMNA P02545 1/20 0.34

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
SCHEMBL8543486 0.77 CA12 (0.34) CA12CA1CA2CA7CA9
SCHEMBL8540729 0.77 CA1 (0.31) CA12CA1CA2CA9
SCHEMBL21135673 0.65 CA2 (0.35) CA12CA1CA2CA7CA9
SCHEMBL28845208 0.63 CYP1A2 (0.34)
SCHEMBL11672291 0.62 KDM4E (0.44) CA12CA1CA2CA7CA9
SCHEMBL9427142 0.62 CA9 (0.49) CA12CA1CA2CA7CA9
SCHEMBL14694011 0.62 SMN1; SMN2 (0.37) LMNA
SCHEMBL20000078 0.62 ALDH1A1 (0.34) CA12CA1CA2CA7CA9
SCHEMBL1131655 0.61 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL14324822 0.61 CA1 (0.52) CA12CA1CA2CA7CA9

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
EP-0584085-B1 ANTIBIOTIC CARBAPENEM DERIVATIVES ZENECA LTD (GB) 1998-09-09 EP disclosed
US-5554606-A THIENAMYCIN DERIVATIVES; PSEUDOMONAS ZENECA LIMITED (GB) 1996-09-10 US disclosed
EP-0584085-A1 ANTIBIOTIC CARBAPENEM DERIVATIVES ZENECA LIMITED (GB) 1994-03-02 EP disclosed
WO-1992017479-A1 ANTIBIOTIC CARBAPENEM DERIVATIVES ZENECA LTD. (GB) 1992-10-15 WO disclosed