SCHEMBL8070835

SCHEMBL8070835

CC(C)(C)CCOCCOC(O[SiH](c1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
RIPK1 Q13546 1/20 0.31
GAA P10253 2/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KMT2A Q03164 2/20 0.30
KIF11 P52732 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
PTK2B Q14289 1/20 0.30

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
SCHEMBL8071089 1.00 EDNRB (0.33) EDNRBEDNRAALDH1A1KDM4ESMN1; SMN2
SCHEMBL8075407 0.87 PPARA (0.36) EDNRBEDNRAALDH1A1KDM4ERIPK1
SCHEMBL8070765 0.86 PPARA (0.33) EDNRBEDNRAALDH1A1KDM4ERIPK1
SCHEMBL2556823 0.82 EDNRB (0.33) EDNRBEDNRAALDH1A1KDM4ESMN1; SMN2
SCHEMBL708400 0.67 RIPK1 (0.37) RIPK1MAPK1
SCHEMBL8629910 0.67 MME (0.32) ALDH1A1KDM4EGAAMAPT
SCHEMBL9802325 0.67 ATM (0.37) EDNRBEDNRAALDH1A1GAATDP1
SCHEMBL4528482 0.65 RIPK1 (0.37) RIPK1
SCHEMBL9736778 0.65 ADRB2 (0.32)
SCHEMBL8559419 0.64 RIPK1 (0.43) RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6080771-A LEINAMYCIN DERIVATIVES ARE USED AS BACTERICIDE AND ANTITUMOR AGENTS KYOWA HAKKO KOGYO CO., LTD. (JP) 2000-06-27 US disclosed
EP-0887351-A1 DC 107 DERIVATIVES (2) KYOWA HAKKO KOGYO CO., LTD. (JP) 1998-12-30 EP disclosed