SCHEMBL6819306

SCHEMBL6819306

COc1cc(C(=O)CSCC(O)CO)cc(OC)c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPK1 P28482 2/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
PPARG P37231 1/20 0.43
NCOA2 Q15596 1/20 0.43
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 1/20 0.40
SCN1A P35498 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39

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
SCHEMBL6819403 0.88 ALDH1A1 (0.45) ALDH1A1KDM4EMAPK1KMT2AMEN1
SCHEMBL6822787 0.88 ALDH1A1 (0.45) ALDH1A1KDM4EMAPK1KMT2AMEN1
SCHEMBL6822578 0.80 ALDH1A1 (0.50) ALDH1A1KDM4EMAPK1KMT2AMEN1
SCHEMBL6822745 0.78 ALDH1A1 (0.51) ALDH1A1KDM4EMAPK1KMT2AMEN1
SCHEMBL6822624 0.76 ALDH1A1 (0.47) ALDH1A1KDM4EMAPK1KMT2AMEN1
SCHEMBL6822981 0.76 ALDH1A1 (0.55) ALDH1A1KDM4EMAPK1KMT2AMEN1
SCHEMBL10483795 0.73 ALDH1A1 (0.60) ALDH1A1KDM4EMAPK1KMT2AMEN1
SCHEMBL6822575 0.73 ALDH1A1 (0.53) ALDH1A1KDM4EMAPK1KMT2AMEN1
SCHEMBL13183860 0.72 TSHR (0.54) KDM4EMAPK1KMT2AMEN1L3MBTL1
SCHEMBL6819322 0.72 CYP3A4 (0.54) ALDH1A1KDM4EMAPK1KMT2AMEN1

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