SCHEMBL8549172

SCHEMBL8549172

CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
POLB P06746 2/20 0.56
CTDSP1 Q9GZU7 1/20 0.55
PRCP P42785 1/20 0.52
MMP9 P14780 3/20 0.50
MMP8 P22894 3/20 0.50
HDAC8 Q9BY41 2/20 0.48
MAPT P10636 2/20 0.48
MMP14 P50281 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HSD17B10 Q99714 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
CASR P41180 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL8550314 1.00 MEN1 (0.67) MEN1KMT2APOLBCTDSP1PRCP
SCHEMBL8549167 1.00 MEN1 (0.67) MEN1KMT2APOLBCTDSP1PRCP
SCHEMBL7316186 0.88 MEN1 (0.56) MEN1KMT2APOLBPRCPKDM4E
SCHEMBL7314845 0.88 MEN1 (0.56) MEN1KMT2APOLBPRCPKDM4E
SCHEMBL8615988 0.88 MEN1 (0.56) MEN1KMT2APOLBPRCPKDM4E
SCHEMBL7314855 0.88 MEN1 (0.56) MEN1KMT2APOLBPRCPKDM4E
Hydrochloric Acid SCHEMBL8614876 0.86 MEN1 (0.54) MEN1KMT2APOLBPRCPKDM4E
Hydrochloric Acid SCHEMBL8614868 0.86 MEN1 (0.54) MEN1KMT2APOLBPRCPKDM4E
SCHEMBL7315854 0.83 MEN1 (0.60) MEN1KMT2APOLBCTDSP1PRCP
SCHEMBL13479489 0.83 MEN1 (0.60) MEN1KMT2APOLBCTDSP1PRCP

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-0564924-B1 2-Oxoethyl derivatives as immunosuppressants BAYER AG (US) 1998-09-09 EP disclosed
US-5686424-A FOR TREATING INFLAMMATION MILES INC. (US) 1997-11-11 US disclosed
EP-0564924-A2 2-Oxoethyl derivatives as immunosuppressants Bayer Corporation (US) 1993-10-13 EP disclosed