SCHEMBL7355109

SCHEMBL7355109

CC(C)[C@H](NC(=O)N1CCC(NCC(=O)OC(C)(C)C)CC1)C(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 2/20 0.44
MAPK1 P28482 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
POLB P06746 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CCR1 P32246 1/20 0.44
NTSR1 P30989 1/20 0.43
HTT P42858 1/20 0.43
GAA P10253 1/20 0.42
CMA1 P23946 1/20 0.42
YAP1 P46937 1/20 0.41
IL1RN P18510 1/20 0.41
ERAP2 Q6P179 1/20 0.41
ERAP1 Q9NZ08 1/20 0.41

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
SCHEMBL7349967 0.86 CMA1 (0.52) KMT2AMEN1CMA1
SCHEMBL3557442 0.83 HTT (0.60) KMT2AMEN1L3MBTL1MAPTMAPK1
SCHEMBL7355350 0.83 TSHR (0.44) KMT2AMEN1L3MBTL1MAPTMAPK1
SCHEMBL1827201 0.79 HTT (0.57) KMT2AMEN1L3MBTL1MAPTMAPK1
SCHEMBL7352944 0.78 ACE (0.51) MAPTMAPK1NPSR1NTSR1GAA
SCHEMBL7346506 0.78 MEN1 (0.60) KMT2AMEN1POLBCCR1GAA
SCHEMBL7346514 0.78 MEN1 (0.60) KMT2AMEN1POLBCCR1GAA
SCHEMBL6444697 0.76 CTSS (0.59) KMT2AMEN1NPSR1ALDH1A1IL1RN
SCHEMBL28709400 0.75 HTT (0.53) KMT2AMEN1L3MBTL1MAPTMAPK1
SCHEMBL28709401 0.75 HTT (0.53) KMT2AMEN1L3MBTL1MAPTMAPK1

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
EP-0644892-A1 INHIBITORS OF ANGIOTENSIN I CHYMASE(S) INCLUDING HUMAN HEART CHYMASE PFIZER INC. (US) 1995-03-29 EP disclosed
WO-1993025574-A1 INHIBITORS OF ANGIOTENSIN I CHYMASE(S) INCLUDING HUMAN HEART CHYMASE PFIZER INC. (US) 1993-12-23 WO disclosed