SCHEMBL8462178

SCHEMBL8462178

Nc1cc(C=O)cc(C=O)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.40
ALDH1A1 P00352 4/20 0.36
CYP2A6 P11509 2/20 0.36
KDM4E B2RXH2 1/20 0.35
PTGS2 P35354 1/20 0.35
RAB9A P51151 1/20 0.35
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALDH5A1 P51649 1/20 0.33
ABAT P80404 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL178489 0.94 CYP19A1 (0.46) CYP19A1ALDH1A1CYP2A6KDM4EPTGS2
SCHEMBL308093 0.83 ALDH1A1 (0.47) ALDH1A1CYP2A6KDM4EPTGS2RAB9A
SCHEMBL29951100 0.82 CYP19A1 (0.43) CYP19A1ALDH1A1KDM4EPTGS2RAB9A
SCHEMBL29958069 0.82 ALDH1A1 (0.57) CYP19A1ALDH1A1CYP2A6KDM4ETSHR
SCHEMBL29957103 0.82 ERN1 (0.34) CYP19A1ALDH1A1
SCHEMBL29951267 0.82 CYP3A4 (0.55) CYP19A1ALDH1A1TSHRHSD17B10TP53
SCHEMBL20320056 0.82 CYP19A1 (0.43) CYP19A1ALDH1A1KDM4EPTGS2RAB9A
SCHEMBL6009914 0.82 ALDH1A1 (0.57) CYP19A1ALDH1A1CYP2A6KDM4ETSHR
SCHEMBL15618821 0.82 CYP3A4 (0.55) CYP19A1ALDH1A1TSHRHSD17B10TP53
SCHEMBL19234310 0.82 ALDH1A1 (0.46) CYP19A1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118252966-B High-crosslinking amphiphilic embolic microsphere and preparation method thereof 至微(深圳)医学科技有限公司 2025-01-14 CN disclosed
CN-118252966-A High-crosslinking amphiphilic embolic microsphere and preparation method thereof 至微(深圳)医学科技有限公司 2024-06-28 CN disclosed
CN-115646465-B Porous composite material, preparation method and application thereof 中国农业科学院蔬菜花卉研究所 2024-04-30 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-10994261-B2 Polyamine phosphorus dendrimer materials for carbon dioxide capture RESEARCH TRIANGLE INSTITUTE (US) 2021-05-04 US disclosed
US-20190224647-A1 Polyamine Phosphorus Dendrimer Materials for Carbon Dioxide Capture UNITED STATES DEPARTMENT OF ENERGY 2019-07-25 US disclosed
EP-1960349-B1 PURIFICATION OF IODIXANOL GE HEALTHCARE AS (NO) 2015-11-18 EP disclosed
EP-2455431-A1 Ink and ink set for inkjet recording Fujifilm Corporation (JP) 2012-05-23 EP disclosed
US-7479516-B2 Nanocomposites and methods thereto ZYVEX PERFORMANCE MATERIALS, LLC (US) 2009-01-20 US disclosed