SCHEMBL6822745

SCHEMBL6822745

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
KMT2A Q03164 3/20 0.51
KDM4E B2RXH2 2/20 0.51
MEN1 O00255 2/20 0.51
MAPK1 P28482 2/20 0.51
GAA P10253 2/20 0.48
PPARG P37231 1/20 0.47
NCOA2 Q15596 1/20 0.47
NCOA1 Q15788 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
TPMT P51580 1/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GRK6 P43250 1/20 0.45
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44

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
SCHEMBL6822578 0.83 ALDH1A1 (0.50) ALDH1A1KMT2AKDM4EMEN1MAPK1
SCHEMBL6822981 0.81 ALDH1A1 (0.55) ALDH1A1KMT2AKDM4EMEN1MAPK1
SCHEMBL2127920 0.80 KMT2A (0.66) ALDH1A1KMT2AKDM4EMEN1MAPK1
SCHEMBL6822575 0.79 ALDH1A1 (0.53) ALDH1A1KMT2AKDM4EMEN1MAPK1
SCHEMBL2336216 0.79 CYP1A2 (0.55) ALDH1A1KMT2AKDM4EMEN1GAA
SCHEMBL6822746 0.78 MAPK1 (0.56) ALDH1A1KMT2AKDM4EMEN1MAPK1
SCHEMBL6819306 0.78 ALDH1A1 (0.46) ALDH1A1KMT2AKDM4EMEN1MAPK1
SCHEMBL6819322 0.78 CYP3A4 (0.54) ALDH1A1KMT2AKDM4EMEN1MAPK1
SCHEMBL9828028 0.77 MEN1 (0.62) ALDH1A1KMT2AKDM4EMEN1MAPK1
SCHEMBL7046987 0.77 ALDH1A1 (0.72) ALDH1A1KMT2AKDM4EMEN1MAPK1

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