SCHEMBL9556571

SCHEMBL9556571

CC1CCC(C2COC(c3ccc(C#N)c(F)c3)OC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 8/20 0.45
CYP11B2 P19099 8/20 0.45
TRPV4 Q9HBA0 1/20 0.36
FASN P49327 2/20 0.32
KDM1A O60341 3/20 0.32
GRM5 P41594 1/20 0.31
MTOR P42345 1/20 0.31
CHEK1 O14757 1/20 0.30

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
SCHEMBL10502319 1.00 CYP11B1 (0.45) CYP11B1CYP11B2TRPV4FASNKDM1A
SCHEMBL10432697 1.00 CYP11B1 (0.45) CYP11B1CYP11B2TRPV4FASNKDM1A
SCHEMBL9556566 1.00 CYP11B1 (0.45) CYP11B1CYP11B2TRPV4FASNKDM1A
SCHEMBL14300283 0.87 CYP11B1 (0.42) CYP11B1CYP11B2TRPV4FASN
SCHEMBL10781845 0.86 CYP11B1 (0.40) CYP11B1CYP11B2TRPV4FASNKDM1A
SCHEMBL9556078 0.86 CYP11B1 (0.40) CYP11B1CYP11B2TRPV4FASNKDM1A
SCHEMBL9556086 0.86 CYP11B1 (0.40) CYP11B1CYP11B2TRPV4FASNKDM1A
SCHEMBL10432488 0.86 CYP11B1 (0.40) CYP11B1CYP11B2TRPV4FASNKDM1A
SCHEMBL10501807 0.86 CYP11B1 (0.50) CYP11B1CYP11B2TRPV4FASNGRM5
SCHEMBL9556288 0.84 CYP11B1 (0.39) CYP11B1CYP11B2TRPV4FASNKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5238599-A Low threshold voltage, low driving voltage SEIKO EPSON CORPORATION (JP) 1993-08-24 US disclosed
EP-0400861-A1 1,3-dioxane derivative and liquid crystal composition incorporating the same SEIKO EPSON CORPORATION (JP) 1990-12-05 EP disclosed
EP-0154840-B1 LIQUID CRYSTAL COMPOUNDS MERCK PATENT GmbH (DE) 1989-01-25 EP disclosed
US-4704227-A DERIVATIVES OF 1,3-DIOXANE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1987-11-03 US disclosed
EP-0154840-A2 Liquid crystal compounds MERCK PATENT GmbH (DE) 1985-09-18 EP disclosed