SCHEMBL11213802

SCHEMBL11213802

O=C1OC(OC2OC(=O)c3ccccc32)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 2/20 0.40
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 1/20 0.37
ALOX15 P16050 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL29441612 1.00 ALDH1A1 (0.52) ALDH1A1HSD17B10KDM4ECA1CA2
SCHEMBL11294940 0.86 ALDH1A1 (0.41) ALDH1A1HSD17B10KDM4EPOLBMEN1
SCHEMBL2631833 0.83 ALDH1A1 (0.48) ALDH1A1HSD17B10KDM4EPOLBGAA
SCHEMBL9455633 0.80 ALDH1A1 (0.50) ALDH1A1HSD17B10KDM4ECA1CA2
SCHEMBL6805564 0.80 ALDH1A1 (0.46) ALDH1A1HSD17B10KDM4ECA1CA2
SCHEMBL8577595 0.80 ALDH1A1 (0.46) ALDH1A1HSD17B10KDM4ENPC1POLB
SCHEMBL9910017 0.80 ALDH1A1 (0.46) ALDH1A1HSD17B10KDM4EPOLBGAA
SCHEMBL6805568 0.80 ALDH1A1 (0.46) ALDH1A1HSD17B10KDM4ECA1CA2
SCHEMBL10238639 0.80 ALDH1A1 (0.46) ALDH1A1HSD17B10KDM4ECA1CA2
SCHEMBL13292304 0.79 ALDH1A1 (0.44) ALDH1A1HSD17B10KDM4EPOLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111362919-B Cyclopyraflutole dimethylamine salt D crystal form and preparation method and application thereof 青岛清原化合物有限公司 2021-03-12 CN disclosed
CN-111362919-A Cyclopyraflutole dimethylamine salt D crystal form and preparation method and application thereof 青岛清原化合物有限公司 2020-07-03 CN disclosed
EP-0041672-B1 PROCESS FOR THE PREPARATION OF AROMATIC ALDEHYDES BAYER AG (DE) 1983-09-28 EP disclosed
US-4310680-A METAL OR METAL COMPOUND CATALYST DYNAMIT NOBEL AG (DE) 1982-01-12 US disclosed
EP-0041672-A1 Process for the preparation of aromatic aldehydes BAYER AG (DE) 1981-12-16 EP disclosed
US-4216153-A CHLORINATION OF O-TOLUIC ACID DYNAMIT NOBEL AKTIENGESELLSCHAFT (DE) 1980-08-05 US disclosed