SCHEMBL13846225

SCHEMBL13846225

O=C(/C=C/c1ccc(O)c(O)c1)NCCOCC(O)C(O)C(O)CCCc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c2c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLH Q9Y253 8/20 0.47
▸ AKR1B1 P15121 2/20 0.43
▸ ALOX5 P09917 7/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ POLB P06746 3/20 0.40
▸ GAA P10253 3/20 0.40
▸ RECQL P46063 3/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ APP P05067 2/20 0.40
▸ USP2 O75604 2/20 0.40
▸ TP53 P04637 2/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ ALOX15 P16050 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ HIF1A Q16665 2/20 0.40
▸ MMP1 P03956 2/20 0.40

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
SCHEMBL13846218 0.84 POLH (0.59) POLHAKR1B1ALOX5MEN1KMT2A
SCHEMBL13846215 0.80 POLH (0.49) POLHALOX5APPBCL9CTNNB1
SCHEMBL13846136 0.77 POLH (0.66) POLHAKR1B1ALOX5MEN1KMT2A
SCHEMBL13846138 0.77 AKR1B1 (0.58) POLHAKR1B1KDM4EPOLBGAA
SCHEMBL13846223 0.76 POLH (0.65) POLHAKR1B1ALOX5MEN1KMT2A
SCHEMBL13846134 0.73 POLH (0.58) POLHAKR1B1ALOX5MEN1KMT2A
SCHEMBL13846227 0.71 AKR1B1 (0.77) AKR1B1KDM4EPOLBGAAHSD17B10
SCHEMBL13846231 0.71 POLH (0.59) POLHAKR1B1ALOX5MEN1KMT2A
SCHEMBL15928803 0.69 POLH (0.72) POLHAKR1B1ALOX5MEN1KMT2A
SCHEMBL13846135 0.69 MEN1 (0.57) POLHAKR1B1ALOX5MEN1KMT2A

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
WO-2009064485-A1 ANTIOXIDANT FLAVONOID DERIVATIVES TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2009-05-22 — — WO disclosed
Send feedback