SCHEMBL7304271

SCHEMBL7304271

CC(C)C[C@H](NCP(=O)(OCc1ccccc1)OCc1ccccc1)C(=O)NC(CCc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ERAP2 Q6P179 7/20 0.51
ERAP1 Q9NZ08 6/20 0.51
ANPEP P15144 2/20 0.51
ECE1 P42892 7/20 0.50
IL1RN P18510 5/20 0.50
TP53 P04637 1/20 0.50
MDM2 Q00987 1/20 0.50
PYGB P11216 1/20 0.49
MME P08473 1/20 0.48
ACE P12821 1/20 0.48

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
SCHEMBL7313675 0.92 ECE1 (0.61) ERAP2ERAP1ANPEPECE1IL1RN
SCHEMBL7312422 0.87 ECE1 (0.56) ERAP2ERAP1ANPEPECE1IL1RN
SCHEMBL7313702 0.85 ECE1 (0.61) ERAP2ERAP1ANPEPECE1IL1RN
SCHEMBL8200511 0.83 KDM4E (0.51) ERAP2ERAP1ANPEPECE1IL1RN
SCHEMBL3098144 0.81 ITGB2 (0.47) TP53ACE
SCHEMBL7306796 0.81 ECE1 (0.65) ERAP2ERAP1ANPEPECE1IL1RN
SCHEMBL27459375 0.81 ECE1 (0.65) ERAP2ERAP1ANPEPECE1IL1RN
SCHEMBL8200899 0.80 ERAP1 (0.67) ERAP2ERAP1ANPEPECE1IL1RN
SCHEMBL8908474 0.79 ERAP2 (0.56) ERAP2ERAP1ECE1IL1RN
SCHEMBL7305118 0.78 ECE1 (0.68) ERAP2ERAP1ANPEPECE1MME

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 5 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
EP-0618224-A1 Phosphonomethyldipeptides MERRELL DOW PHARMACEUTICALS INC. (US) 1994-10-05 EP disclosed