SCHEMBL8795157

SCHEMBL8795157

CC1(C)C=C(c2cccc[n+]2[O-])c2cc(S(=O)(=O)C(F)(F)F)ccc2O1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 2/20 0.44
ABCC8 Q09428 2/20 0.44
KCNJ11 Q14654 2/20 0.44
KCNJ8 Q15842 2/20 0.44
ESPL1 Q14674 1/20 0.39
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.31

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
SCHEMBL9525002 0.82 ABCC9 (0.52) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL9376910 0.80 ESPL1 (0.37) ESPL1ALDH1A1LMNA
SCHEMBL8796317 0.80 ABCC9 (0.42) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL9525790 0.79 ABCC9 (0.41) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL9527732 0.78 ABCC9 (0.41) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL8335425 0.78 ABCC9 (0.43) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL8795248 0.77 PTGS2 (0.35) ESPL1ALDH1A1LMNA
SCHEMBL9527906 0.77 ABCC9 (0.40) ABCC9ABCC8KCNJ11KCNJ8ALDH1A1
SCHEMBL6369348 0.76 ABCC9 (0.62) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL8794831 0.76 ESPL1 (0.37) ESPL1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0586405-B1 NOVEL 2H-BENZO[b]PYRANE DERIVATIVES SUBSTITUTED IN THE 4 POSITION BY ARYL OR N-HETEROARYL, PROCESS FOR PRODUCING THEM AND PREPARATIONS CONTAINING THE COMPOUNDS BEIERSDORF LILLY GMBH (DE) 1997-09-10 EP claimed