SCHEMBL565631

SCHEMBL565631

CC(C)(C)c1ccc([I+](OS(=O)(=O)C(F)(F)CC(F)(F)F)c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA9 Q16790 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.32
TP53 P04637 1/20 0.32
EEF2K O00418 1/20 0.32
MITF O75030 1/20 0.31
FFAR1 O14842 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
RORA P35398 1/20 0.31
GRIA4 P48058 3/20 0.31
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
NPC1 O15118 1/20 0.30
HPGD P15428 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
SCHEMBL36628 0.83 CA1 (0.40) ALDH1A1CA1CA2CA9SMN1; SMN2
SCHEMBL3174085 0.80 CA1 (0.38) ALDH1A1CA1CA2CA9SMN1; SMN2
SCHEMBL3828157 0.80 CA1 (0.38) ALDH1A1CA1CA2CA9SMN1; SMN2
SCHEMBL1270050 0.79 HSD11B1 (0.39) ALDH1A1CA1CA2CA9FFAR1
SCHEMBL114860 0.77 CA1 (0.36) ALDH1A1CA1CA2CA9FFAR1
SCHEMBL448975 0.75 CA2 (0.37) ALDH1A1CA1CA2CA9FFAR1
SCHEMBL3762396 0.75 TSHR (0.43) ALDH1A1CA1CA2CA9SMN1; SMN2
SCHEMBL3090902 0.75 CA2 (0.37) ALDH1A1CA1CA2CA9FFAR1
SCHEMBL501670 0.75 CYP2D6 (0.42) CA2RORAMEN1CYP1A2CYP2C19
SCHEMBL218164 0.74 CA2 (0.41) ALDH1A1CA1CA2CA9SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8729166-B2 Polymer composition for microelectronic assembly PROMERUS, LLC (US) 2014-05-20 US disclosed
US-20140024750-A1 Polymer Composition for Microelectronic Assembly PROMERUS, LLC (US) 2014-01-23 US disclosed
US-8575248-B2 Polymer composition for microelectronic assembly PROMERUS, LLC (US) 2013-11-05 US disclosed
US-20120034387-A1 Polymer Composition for Microelectronic Assembly PROMERUS LLC (US) 2012-02-09 US disclosed