SCHEMBL6869904

SCHEMBL6869904

N#Cc1ccc(C#Cc2ccc(OC3CCCCO3)cc2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.40
TRPC6 Q9Y210 4/20 0.37
TRPC3 Q13507 3/20 0.37
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
HRH3 Q9Y5N1 2/20 0.36
EGLN2 Q96KS0 1/20 0.35
TRPV4 Q9HBA0 2/20 0.33
ACACB O00763 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TNK2 Q07912 1/20 0.32

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
SCHEMBL15145198 0.87 AR (0.44) ARTRPC6TRPC3CYP11B1CYP11B2
SCHEMBL3143065 0.80 HRH3 (0.52) ARTRPC6HRH3MEN1KMT2A
SCHEMBL674017 0.77 ACACB (0.38) ARACACBMEN1KMT2ATNK2
SCHEMBL21400656 0.77 APP (0.44) ACACBMEN1KMT2A
SCHEMBL21400657 0.77 APP (0.44) HRH3ACACBMEN1KMT2ATNK2
SCHEMBL14861407 0.76 USP30 (0.39) ARCYP11B1CYP11B2HRH3
SCHEMBL6869906 0.75 AR (0.37) ARCYP11B1CYP11B2TNK2
SCHEMBL1932032 0.75 ACACB (0.47) ACACBMEN1KMT2ATNK2
SCHEMBL8668605 0.75 SLC6A2 (0.46) ARHRH3MEN1KMT2ATNK2
SCHEMBL3500438 0.74 TNK2 (0.44) HRH3MEN1KMT2ATNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6805920-B2 For producing liquid crystal display (LCD) NITTO DENKO CORPORATION (JP) 2004-10-19 US disclosed
US-20030072893-A1 Polymerizable liquid crystal compound and optical film NITTO DENKO CORPORATION (JP) 2003-04-17 US disclosed