SCHEMBL6822927

SCHEMBL6822927

COc1cc(C(=O)COC(C)C)cc(OC)c1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.54
KMT2A Q03164 4/20 0.53
ALDH1A1 P00352 3/20 0.53
MEN1 O00255 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MAPK1 P28482 1/20 0.51
GAA P10253 1/20 0.49
TP53 P04637 1/20 0.48
ALOX12 P18054 1/20 0.46
TUBB1 Q9H4B7 2/20 0.45
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
TUBA1B P68363 1/20 0.45
TUBA4A P68366 1/20 0.45
TUBB4B P68371 1/20 0.45
TUBB3 Q13509 1/20 0.45
TUBB2A Q13885 1/20 0.45
TUBB8 Q3ZCM7 1/20 0.45
TUBA3E Q6PEY2 1/20 0.45

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
SCHEMBL6129112 0.82 L3MBTL1 (0.59) L3MBTL1KMT2AALDH1A1MEN1KDM4E
SCHEMBL6060600 0.78 PDE4B (0.60) KMT2AALDH1A1MEN1MAPK1TUBB1
SCHEMBL7046987 0.78 ALDH1A1 (0.72) L3MBTL1KMT2AALDH1A1MEN1KDM4E
SCHEMBL9828028 0.78 MEN1 (0.62) L3MBTL1KMT2AALDH1A1MEN1KDM4E
SCHEMBL6129091 0.78 ALDH1A1 (0.62) L3MBTL1KMT2AALDH1A1MEN1KDM4E
SCHEMBL25238149 0.77 ALDH1A1 (0.60) L3MBTL1KMT2AALDH1A1MEN1KDM4E
SCHEMBL10483795 0.77 ALDH1A1 (0.60) L3MBTL1KMT2AALDH1A1MEN1KDM4E
SCHEMBL3407396 0.77 MEN1 (0.65) L3MBTL1KMT2AALDH1A1MEN1KDM4E
SCHEMBL6129106 0.75 KMT2A (0.55) L3MBTL1KMT2AALDH1A1MEN1KDM4E
SCHEMBL6507928 0.75 ALDH1A1 (0.58) L3MBTL1KMT2AALDH1A1MEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0812825-B1 PROPENONE DERIVATIVES KYOWA HAKKO KOGYO KK (JP) 2004-02-11 EP disclosed
US-5952355-A 1-ETHER-SUBSTITUTED PHENYL-3-INDOL-3-YL-2-PROPEN-1-ONE DERIVATIVES; ANTITUMOR AND -CARCINOGENIC AGENTS; IMMUNOSUPPRESSANTS; AUTOIMMUNE DISEASES; SIDE EFFECT REDUCTION KYOWA HAKKO KOGYO CO., LTD. (JP) 1999-09-14 US disclosed
EP-0812825-A1 PROPENONE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-12-17 EP disclosed