SCHEMBL8200899

SCHEMBL8200899

CC(C)C[C@H](NCP(=O)(O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ERAP1 Q9NZ08 8/20 0.67
ERAP2 Q6P179 7/20 0.67
IL1RN P18510 5/20 0.67
LNPEP Q9UIQ6 2/20 0.59
MMP2 P08253 2/20 0.57
MMP9 P14780 2/20 0.57
MMP8 P22894 2/20 0.57
MMP14 P50281 2/20 0.57
MMP7 P09237 1/20 0.57
ECE1 P42892 1/20 0.56
ANPEP P15144 2/20 0.55
TACR1 P25103 5/20 0.55
NMBR P28336 1/20 0.55

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
SCHEMBL7313702 0.93 ECE1 (0.61) ERAP1ERAP2IL1RNECE1ANPEP
SCHEMBL7313675 0.86 ECE1 (0.61) ERAP1ERAP2IL1RNECE1ANPEP
SCHEMBL8908474 0.85 ERAP2 (0.56) ERAP1ERAP2IL1RNLNPEPMMP2
SCHEMBL7310121 0.84 ERAP1 (0.63) ERAP1ERAP2IL1RNLNPEPMMP2
SCHEMBL27435445 0.84 IL1RN (0.55) ERAP1ERAP2IL1RNMMP2ECE1
SCHEMBL27435446 0.84 IL1RN (0.55) ERAP1ERAP2IL1RNMMP2ECE1
SCHEMBL27458142 0.83 ERAP2 (0.67) ERAP1ERAP2IL1RNLNPEPMMP2
SCHEMBL7311262 0.82 ERAP1 (0.75) ERAP1ERAP2IL1RNLNPEPMMP2
SCHEMBL27887777 0.82 ERAP2 (0.74) ERAP1ERAP2IL1RNLNPEPMMP2
SCHEMBL7358374 0.81 NMBR (0.61) ERAP1ERAP2IL1RNLNPEPMMP2

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
EP-0691985-B1 PHOSPHONOMETHYLDIPEPTIDES MERRELL PHARMA INC (US) 2000-05-03 EP claimed