SCHEMBL16590901

SCHEMBL16590901

C=Cc1ccc(OCCCCCCOc2c(F)c(F)c(S(=O)(=O)NS(=O)(=O)C(F)(F)F)c(F)c2F)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
APP P05067 10/20 0.32
CA12 O43570 3/20 0.32
CA1 P00915 3/20 0.32
CA2 P00918 3/20 0.32
CA9 Q16790 3/20 0.32
LSS P48449 2/20 0.31
ALB P02768 1/20 0.31
HDAC3 O15379 1/20 0.30
STAT3 P40763 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 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
SCHEMBL16590906 0.85
SCHEMBL16590902 0.79 CHRNB2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL14838098 0.77 TDP1 (0.41) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL12640563 0.77 CA1 (0.32) CA1CA2
SCHEMBL17881657 0.73 CA1 (0.35) CA1CA2
SCHEMBL17877607 0.70 CA1 (0.37) CA1CA2
SCHEMBL1140632 0.69 CHRNB2 (0.59) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL8754087 0.69 CHRNB2 (0.59) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL14771733 0.68 TDP1 (0.47) CA12CA1CA2CA9
SCHEMBL20415032 0.68 CA1 (0.35) CA1CA2

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
US-20150086912-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, RESIST FILM AND PATTERN FORMING METHOD USING THE SAME, MANUFACTURING METHOD OF SEMICONDUCTOR DEVICE, AND SEMICONDUCTOR DEVICE FUJIFILM CORPORATION (JP) 2015-03-26 US disclosed