SCHEMBL11371629

SCHEMBL11371629

COc1ccc(C(NC(C)C(=O)O)(OC)OC)c(OC)c1OC

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ MAPT P10636 3/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ KMT2A Q03164 3/20 0.35
▸ ALDH1A1 P00352 5/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ ABCG2 Q9UNQ0 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ USP2 O75604 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ LDHA P00338 1/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.33
▸ PKM P14618 1/20 0.33

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
SCHEMBL11371612 1.00 KDM4E (0.39) KDM4EHSD17B10MAPTTDP1KMT2A
SCHEMBL11374993 0.86 MAPK1 (0.40) KDM4EHSD17B10MAPTTDP1KMT2A
SCHEMBL11375003 0.86 MAPK1 (0.40) KDM4EHSD17B10MAPTTDP1KMT2A
SCHEMBL11374361 0.83 ATM (0.44) KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL11374378 0.83 ATM (0.44) KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL11374041 0.79 FPR2 (0.47) KMT2AALDH1A1GAAPKM
SCHEMBL11374027 0.79 FPR2 (0.47) KMT2AALDH1A1GAAPKM
SCHEMBL11376027 0.77 KDM4E (0.43) KDM4EMAPTTDP1KMT2AALDH1A1
SCHEMBL2674168 0.72 KDM4E (0.43) KDM4EHSD17B10MAPTTDP1KMT2A
SCHEMBL9862211 0.71 KMT2A (0.66) KDM4EHSD17B10MAPTTDP1KMT2A

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-4267344-A 3-PENTA/ALKOXY/BENZYL-; -XANTHYL-, -THIOXANTHYL-, OR -SELENOXANTHYLOXAZOLIDINE-2,5-DIONES PROTEINKEMISK INSTITUT. TILKNYTTET AKADEMIET FOR DE TEKNISKE VIDENSKABER (DK) 1981-05-12 — — US disclosed
Send feedback