SCHEMBL22304536

SCHEMBL22304536

CC(C)(C)OC(=O)c1ccc(OI)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
ELANE P08246 3/20 0.49
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
MAPT P10636 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
STAT3 P40763 2/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
PRSS1 P07477 1/20 0.39
ACR P10323 1/20 0.39

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
SCHEMBL109451 0.85 CA1 (0.61) CA1CA2CA12CA9CA14
SCHEMBL5918245 0.84 HPGD (0.54) CA1CA2CA12CA9CA14
SCHEMBL11064798 0.82 ELANE (0.67) CA1CA2CA12CA9CA14
Hydrazine SCHEMBL10771056 0.81 CA12 (0.62) CA1CA2CA12CA9CA14
SCHEMBL1560690 0.80 CA1 (0.53) CA1CA2CA12CA9CA14
SCHEMBL6350965 0.79 CA12 (0.71) CA1CA2CA12CA9CA14
SCHEMBL4532351 0.79 ELANE (0.60) CA1CA2CA12CA9CA14
SCHEMBL29733690 0.79 CA1 (0.49) CA1CA2CA12CA9CA14
SCHEMBL5984170 0.79 ELANE (0.61) CA1CA2CA12CA9CA14
SCHEMBL519766 0.79 CA1 (0.49) CA1CA2CA12CA9CA14

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-20210395491-A1 ASSOCIATIVE POLYMERS AND RELATED COMPOSITIONS, METHODS AND SYSTEMS CALIFORNIA INSTITUTE OF TECHNOLOGY 2021-12-23 US disclosed
US-20200247977-A1 ASSOCIATIVE POLYMERS AND RELATED COMPOSITIONS, METHODS AND SYSTEMS UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF NASA 2020-08-06 US disclosed