SCHEMBL8899092

SCHEMBL8899092

CC(C)CC(CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.68
MMP1 P03956 6/20 0.65
FCER2 P06734 3/20 0.65
ERAP2 Q6P179 3/20 0.56
ERAP1 Q9NZ08 3/20 0.56
LNPEP Q9UIQ6 3/20 0.56
MMP2 P08253 4/20 0.56
MMP9 P14780 4/20 0.56
MMP8 P22894 3/20 0.56
MMP7 P09237 3/20 0.56
MMP3 P08254 2/20 0.56
PTPN1 P18031 1/20 0.55
MMP12 P39900 1/20 0.55
MMP13 P45452 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
SCHEMBL8899095 1.00 MME (0.68) MMEMMP1FCER2ERAP2ERAP1
SCHEMBL8895948 0.94 MMP1 (0.72) MMEMMP1FCER2ERAP2ERAP1
SCHEMBL8895943 0.94 MMP1 (0.72) MMEMMP1FCER2ERAP2ERAP1
SCHEMBL4226365 0.92 MME (0.63) MMEMMP1FCER2ERAP2ERAP1
SCHEMBL8898699 0.92 MME (0.63) MMEMMP1FCER2ERAP2ERAP1
SCHEMBL8898706 0.92 MME (0.63) MMEMMP1FCER2ERAP2ERAP1
SCHEMBL11404199 0.91 MME (0.81) MMEMMP1FCER2
SCHEMBL11404202 0.91 MME (0.81) MMEMMP1FCER2
SCHEMBL4371284 0.87 MME (0.72) MMEMMP1MMP2MMP9MMP7
SCHEMBL7302253 0.86 FCER2 (0.61) MMEMMP1FCER2MMP2MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5686422-A Synthetic inhibitors of mammalian collagenase RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1997-11-11 US disclosed
EP-0358660-B1 SYNTHETIC INHIBITORS OF MAMMALIAN COLLAGENASE RES CORP TECHNOLOGIES INC (US) 1994-05-25 EP disclosed