SCHEMBL8200511

SCHEMBL8200511

Cc1ccc2[nH]cc(C[C@H](NC(=O)[C@H](CC(C)C)NCP(=O)(OCc3ccccc3)OCc3ccccc3)C(=O)O)c2c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
ECE1 P42892 7/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ACE P12821 2/20 0.48
MME P08473 1/20 0.48
ERAP2 Q6P179 5/20 0.48
ERAP1 Q9NZ08 3/20 0.48
IL1RN P18510 3/20 0.48
P2RY14 Q15391 1/20 0.48
ANPEP P15144 1/20 0.48
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL8908474 0.94 ERAP2 (0.56) ECE1ERAP2ERAP1IL1RNGAA
SCHEMBL7313675 0.91 ECE1 (0.61) ECE1ACEMMEERAP2ERAP1
SCHEMBL8210882 0.86 ECE1 (0.52) KDM4EECE1ACEMMEERAP2
SCHEMBL7313702 0.84 ECE1 (0.61) ECE1ACEMMEERAP2ERAP1
SCHEMBL7304271 0.83 ERAP2 (0.51) ECE1ACEMMEERAP2ERAP1
SCHEMBL7306796 0.81 ECE1 (0.65) ECE1ACEMMEERAP2ERAP1
SCHEMBL27459375 0.81 ECE1 (0.65) ECE1ACEMMEERAP2ERAP1
SCHEMBL8200899 0.78 ERAP1 (0.67) ECE1ERAP2ERAP1IL1RNANPEP
SCHEMBL7305118 0.78 ECE1 (0.68) ECE1ACEMMEERAP2ERAP1
SCHEMBL8207496 0.76 CCKBR (0.57) ECE1ACEERAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0691985-B1 PHOSPHONOMETHYLDIPEPTIDES MERRELL PHARMA INC (US) 2000-05-03 EP disclosed
US-5608078-A Phosphonomethyldipeptides and process for preparation thereof MERRELL PHARMACEUTICALS INC. (US) 1997-03-04 US disclosed
EP-0691985-A1 PHOSPHONOMETHYLDIPEPTIDES MERRELL PHARMACEUTICALS INC. (US) 1996-01-17 EP disclosed
WO-1994022908-A1 PHOSPHONOMETHYLDIPEPTIDES MERRELL DOW PHARMACEUTICALS INC. (US) 1994-10-13 WO disclosed