SCHEMBL5599682

SCHEMBL5599682

CC(C)(C)OC(=O)n1c(Br)cc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 19/20 0.56
NR1H3 Q13133 3/20 0.53
CA12 O43570 1/20 0.52
CA9 Q16790 1/20 0.52

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
SCHEMBL30711377 0.83 NR1H2 (0.57) NR1H2NR1H3CA12CA9
SCHEMBL5713778 0.83 NR1H2 (0.57) NR1H2NR1H3CA12CA9
SCHEMBL17022654 0.83 NR1H2 (0.57) NR1H2NR1H3CA12CA9
SCHEMBL17075022 0.83 L3MBTL1 (0.47) NR1H2
SCHEMBL3852059 0.82 NR1H2 (0.57) NR1H2NR1H3CA12CA9
SCHEMBL7913537 0.82 NR1H2 (0.56) NR1H2NR1H3CA12CA9
SCHEMBL28370689 0.82 NR1H2 (0.56) NR1H2NR1H3CA12CA9
SCHEMBL4554717 0.82 NR1H2 (0.60) NR1H2NR1H3CA12CA9
SCHEMBL4125402 0.82 NR1H2 (0.60) NR1H2NR1H3CA12CA9
SCHEMBL29942670 0.82 NR1H2 (0.56) NR1H2NR1H3CA12CA9

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
WO-2023093311-A1 LUMINESCENT MATERIAL MADE OF PLATINUM COMPLEX HAVING NNCN TETRADENTATE LIGAND, AND APPLICATION THEREOF 广东阿格蕾雅光电材料有限公司 2023-06-01 WO disclosed
EP-3889133-A1 ESTROGEN RECEPTOR ANTAGONIST Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2021-10-06 EP disclosed
WO-2020125640-A1 ESTROGEN RECEPTOR ANTAGONIST 正大天晴药业集团股份有限公司 2020-06-25 WO disclosed
WO-2007056075-A2 SIX MEMBERED HETEROAROMATIC INHIBITORS TARGETING RESISTANT KINASE MUTATIONS TARGEGEN, INC. (US) 2007-05-18 WO disclosed