SCHEMBL8795283

SCHEMBL8795283

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

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 2/20 0.38
ABCC8 Q09428 2/20 0.38
KCNJ11 Q14654 2/20 0.38
KCNJ8 Q15842 2/20 0.38
LMNA P02545 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL8796317 0.87 ABCC9 (0.42) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL9525790 0.80 ABCC9 (0.41) ABCC9ABCC8KCNJ11KCNJ8ATM
SCHEMBL9527732 0.79 ABCC9 (0.41) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL9525002 0.79 ABCC9 (0.52) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL8335425 0.78 ABCC9 (0.43) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL9527906 0.78 ABCC9 (0.40) ABCC9ABCC8KCNJ11KCNJ8NPC1
SCHEMBL9523802 0.77 RARA (0.40) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL6369348 0.76 ABCC9 (0.62) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL8796181 0.76 GRM4 (0.35) NPC1RAB9A
SCHEMBL8795157 0.75 ABCC9 (0.44) ABCC9ABCC8KCNJ11KCNJ8LMNA

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