SCHEMBL27958751

SCHEMBL27958751

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
ALDH1A1 P00352 3/20 0.41
PTPN1 P18031 1/20 0.41
MAPT P10636 4/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.39
NPC1 O15118 2/20 0.39
LMNA P02545 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL11858186 0.89 CA1 (0.51) CA12CA1CA2CA9CA14
SCHEMBL9805541 0.89 CA1 (0.51) CA12CA1CA2CA9CA14
SCHEMBL11858178 0.89 CA1 (0.51) CA12CA1CA2CA9CA14
SCHEMBL9339908 0.89 CA1 (0.51) CA12CA1CA2CA9CA14
SCHEMBL9338284 0.89 CA1 (0.51) CA12CA1CA2CA9CA14
SCHEMBL14967548 0.86 HDAC1 (0.51) CA12CA1CA2CA9CA14
SCHEMBL14967314 0.86 HDAC1 (0.51) CA12CA1CA2CA9CA14
SCHEMBL9805467 0.86 HDAC1 (0.51) CA12CA1CA2CA9CA14
SCHEMBL9338508 0.85 RECQL (0.50) CA12CA1CA2CA9CA14
SCHEMBL9678821 0.85 RECQL (0.50) CA12CA1CA2CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106458860-A Pesticidal compositions and methods related thereto 美国陶氏益农公司 2017-02-22 CN disclosed
CN-106165684-A Pesticidal compositions and methods relating thereto 陶氏益农公司 2016-11-30 CN disclosed
CN-103748089-B Pesticidal compositions and methods relating thereto 陶氏益农公司 2016-08-17 CN disclosed
CN-105025715-A Pesticidal compositions and methods related thereto DOW AGROSCIENCES LLC 2015-11-04 CN disclosed
CN-104981155-A Pesticidal compositions and methods related thereto DOW AGROSCIENCES LLC 2015-10-14 CN disclosed
CN-104981160-A Pesticidal compositions and methods related thereto DOW AGROSCIENCES LLC 2015-10-14 CN disclosed
CN-103748089-A Pesticidal compositions and methods relating thereto DOW AGROSCIENCES LLC 2014-04-23 CN disclosed