SCHEMBL16601754

SCHEMBL16601754

O=C1C(=O)c2ccc(-c3ccc(CO)cc3)c3c(-c4ccc(CO)cc4)ccc1c23

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
ACHE P22303 2/20 0.39
PRF1 P14222 1/20 0.39
CHEK1 O14757 2/20 0.39
BRD4 O60885 1/20 0.37
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
TSHR P16473 1/20 0.37
HDAC2 Q92769 1/20 0.37
PTGS1 P23219 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
SCHEMBL28271231 0.81 PRKDC (0.40) PTGS2ACHEPRF1CHEK1BCHE
SCHEMBL16601682 0.79 MEN1 (0.55) CA12CA1CA2CA4CA6
SCHEMBL28239929 0.77 ESR1 (0.50)
SCHEMBL28834316 0.76 PRKDC (0.38) PTGS2ACHEPRF1CHEK1BCHE
SCHEMBL28239926 0.76 CES1 (0.47) PTGS2ACHEPRF1CHEK1BCHE
SCHEMBL15764224 0.75 NPC1 (0.46) CA12CA1CA2CA4CA6
SCHEMBL28239933 0.73 ALDH1A1 (0.46) CA12CA1CA2CA4CA6
SCHEMBL16601741 0.73 BCHE (0.39) ACHEBCHECES1ALDH1A1MEN1
SCHEMBL679970 0.72 MKNK1 (0.56) PTGS2CA12CA1CA2CA4
SCHEMBL11310791 0.72 MKNK1 (0.56) PTGS2CA12CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108530563-A A kind of application of the loaded article of alpha-diimine and its metal complex in olefin polymerization 天津工业大学 2018-09-14 CN disclosed
CN-108530567-A A kind of alpha-diimine compound that can form dihydrogen bond and metal complex, loaded article and its application comprising the compound 天津工业大学 2018-09-14 CN disclosed
CN-108530562-A The application of a kind of alpha-diimine compound and its load type gold metal complex with bis-alkoxy silicon in olefin polymerization 天津工业大学 2018-09-14 CN disclosed
US-8993205-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2015-03-31 US disclosed
US-8993205-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2015-03-31 US disclosed