SCHEMBL5126201

SCHEMBL5126201

CC(=O)Nc1ccc2oc(-c3ccc(OCc4ccccc4)c(OCc4ccccc4)c3O)cc(=O)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A2 P19784 1/20 0.50
▸ CSNK2B P67870 1/20 0.50
▸ CSNK2A1 P68400 1/20 0.50
▸ CYP11B1 P15538 1/20 0.46
▸ CYP11B2 P19099 1/20 0.46
▸ CYP19A1 P11511 1/20 0.45
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ CREB1 P16220 1/20 0.43
▸ TNF P01375 1/20 0.42
▸ NOD2 Q9HC29 1/20 0.42
▸ NOD1 Q9Y239 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ PTGER1 P34995 2/20 0.41
▸ MAPT P10636 3/20 0.41

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
SCHEMBL5126031 0.85 CSNK2A2 (0.53) CSNK2A2CSNK2BCSNK2A1MEN1KMT2A
SCHEMBL2398442 0.84 HPGD (0.54) CSNK2A2CSNK2BCSNK2A1CYP19A1MEN1
SCHEMBL4230092 0.78 MAOB (0.50) CREB1MAPTBCHEACHE
SCHEMBL5126242 0.75 AKR1C3 (0.61) CSNK2A2CSNK2BCSNK2A1MEN1KMT2A
SCHEMBL5126203 0.75 MAPT (0.56) CSNK2A2CSNK2BCSNK2A1CYP11B1CYP11B2
SCHEMBL17786530 0.74 CSNK2A2 (0.65) CSNK2A2CSNK2BCSNK2A1CYP19A1MEN1
SCHEMBL925271 0.73 KDM4E (0.47) CYP11B1CYP11B2CYP19A1KMT2AKDM4E
SCHEMBL1082928 0.70 MAPT (0.53) CSNK2A2CSNK2BCSNK2A1MEN1KMT2A
SCHEMBL11138139 0.70 MEN1 (0.62) CYP11B1CYP11B2CYP19A1MEN1KMT2A
SCHEMBL926613 0.69 KDM4E (0.57) MEN1KMT2AKDM4EALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7863323-B1 Flavonols THE UNIVERSITY OF MELBOURNE (AU) 2011-01-04 — — US disclosed
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