SCHEMBL11123808

SCHEMBL11123808

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

nearest known ligand 0.81

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 2/20 0.65
▸ FCER2 P06734 2/20 0.65
▸ LTA4H P09960 2/20 0.64
▸ MME P08473 2/20 0.62
▸ BIRC2 Q13490 1/20 0.61
▸ ERAP2 Q6P179 1/20 0.55
▸ ERAP1 Q9NZ08 1/20 0.55
▸ LNPEP Q9UIQ6 1/20 0.55
▸ MMP2 P08253 1/20 0.55
▸ MMP7 P09237 1/20 0.55
▸ MMP9 P14780 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
SCHEMBL11122512 1.00 MMP1 (0.65) MMP1FCER2LTA4HMMEBIRC2
SCHEMBL9556647 0.92 FCER2 (0.67) MMP1FCER2MMEBIRC2ERAP2
SCHEMBL11122734 0.90 MME (0.76) LTA4HMMEBIRC2MMP2MMP7
SCHEMBL11119164 0.90 MME (0.76) LTA4HMMEBIRC2MMP2MMP7
SCHEMBL11122736 0.90 MME (0.76) LTA4HMMEBIRC2MMP2MMP7
SCHEMBL11122302 0.90 MME (0.76) LTA4HMMEBIRC2MMP2MMP7
SCHEMBL11119167 0.90 MME (0.76) LTA4HMMEBIRC2MMP2MMP7
SCHEMBL11404199 0.87 MME (0.81) MMP1FCER2MME
SCHEMBL11404202 0.87 MME (0.81) MMP1FCER2MME
SCHEMBL11119566 0.86 BIRC2 (0.60) MMP1FCER2MMEBIRC2ERAP2

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
EP-0038046-B1 PHARMACEUTICAL AMIDES, AND PREPARATION, FORMULATIONS AND USE THEREOF THE WELLCOME FOUNDATION LIMITED (GB) 1984-02-29 — — EP disclosed
EP-0038046-A2 Pharmaceutical amides, and preparation, formulations and use thereof THE WELLCOME FOUNDATION LIMITED (GB) 1981-10-21 — — EP disclosed
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