SCHEMBL27458142

SCHEMBL27458142

CC(C)CC(NC[PH](=O)OCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ERAP2 Q6P179 6/20 0.67
ERAP1 Q9NZ08 6/20 0.67
IL1RN P18510 5/20 0.67
ECE1 P42892 3/20 0.56
LNPEP Q9UIQ6 2/20 0.55
NMBR P28336 1/20 0.55
MMP9 P14780 2/20 0.53
MMP8 P22894 2/20 0.53
REN P00797 1/20 0.53
TACR1 P25103 2/20 0.53
MMP2 P08253 1/20 0.53

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
SCHEMBL8200899 0.83 ERAP1 (0.67) ERAP2ERAP1IL1RNECE1LNPEP
SCHEMBL7305342 0.83 ERAP1 (0.62) ERAP2ERAP1IL1RNECE1LNPEP
SCHEMBL7311262 0.82 ERAP1 (0.75) ERAP2ERAP1IL1RNECE1LNPEP
SCHEMBL27887777 0.82 ERAP2 (0.74) ERAP2ERAP1IL1RNECE1LNPEP
SCHEMBL9471355 0.81 IL1RN (0.71) ERAP2ERAP1IL1RNNMBRREN
SCHEMBL9471350 0.81 IL1RN (0.71) ERAP2ERAP1IL1RNNMBRREN
SCHEMBL8100241 0.81 IL1RN (0.70) ERAP2ERAP1IL1RNNMBRREN
SCHEMBL27785997 0.81 ERAP1 (0.72) ERAP2ERAP1IL1RNECE1LNPEP
SCHEMBL27785993 0.81 ERAP1 (0.72) ERAP2ERAP1IL1RNECE1LNPEP
SCHEMBL16465069 0.80 ERAP1 (0.71) ERAP2ERAP1IL1RNECE1LNPEP

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
CN-1120844-A Phosphonomethyldipeptides MERRELL DOW PHARMA (US) 1996-04-17 CN disclosed