SCHEMBL8545844

SCHEMBL8545844

COc1ccc(CON(Cc2ccc(C(=O)c3cccc(C(=O)c4ccc(CN(OCc5ccc(OC)cc5)C(N)=O)cc4)c3)cc2)C(N)=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
ACHE P22303 9/20 0.52
CTSL P07711 1/20 0.47
STS P08842 2/20 0.47
CTSK P43235 1/20 0.47
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
BCHE P06276 5/20 0.46
ATM Q13315 1/20 0.44
CYP19A1 P11511 1/20 0.43
SMPD1 P17405 1/20 0.43

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
SCHEMBL8543702 0.88 ACHE (0.49) MEN1KMT2AACHEALDH1A1BCHE
SCHEMBL10969744 0.76 ALDH1A1 (0.68) MEN1KMT2ACTSLSTSCTSK
SCHEMBL15264157 0.74 CTSK (0.64) MEN1KMT2ACTSLSTSCTSK
SCHEMBL8546496 0.73 NR3C1 (0.47) ALDH1A1
SCHEMBL8547009 0.73 NR3C1 (0.48)
SCHEMBL11900347 0.73 KMT2A (0.67) MEN1KMT2AALDH1A1
SCHEMBL27399132 0.72 ALDH1A1 (0.62) MEN1KMT2ACTSLSTSCTSK
SCHEMBL9427407 0.72 CYP19A1 (0.58) MEN1KMT2AACHECTSLSTS
SCHEMBL28668394 0.71 ALDH1A1 (0.57) MEN1KMT2AACHEALDH1A1GAA
SCHEMBL8549308 0.71 ATM (0.48) MEN1KMT2AACHEBCHEATM

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-0696585-B1 NOVEL BISOXADIAZOLIDINE DERIVATIVE YAMANOUCHI PHARMA CO LTD (JP) 1998-12-16 EP disclosed
US-5643931-A ANTIDIABETIC AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1997-07-01 US disclosed
EP-0696585-A1 NOVEL BISOXADIAZOLIDINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-02-14 EP disclosed