SCHEMBL3100693

SCHEMBL3100693

NC(=O)[C@H](CCc1ccccc1)NCP(=O)(O)O

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ERAP1 Q9NZ08 11/20 0.54
ERAP2 Q6P179 11/20 0.54
ANPEP P15144 3/20 0.54
ACP3 P15309 1/20 0.49
LNPEP Q9UIQ6 6/20 0.46
IL1RN P18510 5/20 0.46
MME P08473 1/20 0.46
ECE1 P42892 1/20 0.46
LAP3 P28838 3/20 0.45

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
SCHEMBL2995623 0.88 ANPEP (0.53) ERAP1ERAP2ANPEPACP3MME
SCHEMBL2995625 0.88 ANPEP (0.53) ERAP1ERAP2ANPEPACP3MME
SCHEMBL3098759 0.85 LAP3 (0.56) ANPEPACP3MMEECE1LAP3
SCHEMBL3098754 0.85 LAP3 (0.56) ANPEPACP3MMEECE1LAP3
SCHEMBL3102568 0.82 FPR2 (0.43) ERAP1ERAP2ANPEPLNPEPIL1RN
SCHEMBL30882671 0.81 OPRK1 (0.49) ERAP1ERAP2ANPEPMME
SCHEMBL30882505 0.81 OPRK1 (0.49) ERAP1ERAP2ANPEPMME
Hydrochloric Acid SCHEMBL30882685 0.80 OPRK1 (0.48) ERAP1ERAP2ANPEPMME
SCHEMBL5721977 0.78 TSHR (0.51) ERAP1ERAP2ANPEPLNPEPMME
SCHEMBL13710939 0.76 TSHR (0.50) ERAP1ERAP2ANPEPLNPEPMME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100247463-A1 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE YU RUEY J 2010-09-30 US claimed