SCHEMBL19112044

SCHEMBL19112044

NC(=O)C(Cc1c[nH]cn1)NC(=O)[C@H](CCC(=O)O)NC(=O)CCc1ccc(-c2cccs2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MMP12 P39900 9/20 0.56
▸ MMP2 P08253 8/20 0.56
▸ MMP8 P22894 8/20 0.56
▸ MMP13 P45452 6/20 0.56
▸ MMP10 P09238 5/20 0.56
▸ MMP9 P14780 4/20 0.56
▸ MMP14 P50281 2/20 0.56
▸ HPGDS O60760 3/20 0.44
▸ MMP3 P08254 4/20 0.43
▸ FFAR1 O14842 1/20 0.41
▸ HDAC1 Q13547 3/20 0.41
▸ HDAC6 Q9UBN7 2/20 0.41
▸ MME P08473 1/20 0.36
▸ ERAP2 Q6P179 1/20 0.35
▸ ERAP1 Q9NZ08 1/20 0.35
▸ LNPEP Q9UIQ6 1/20 0.35

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
SCHEMBL6868926 1.00 MMP12 (0.56) MMP12MMP2MMP8MMP13MMP10
SCHEMBL14122474 1.00 MMP12 (0.56) MMP12MMP2MMP8MMP13MMP10
SCHEMBL6868138 0.90 MMP12 (0.55) MMP12MMP2MMP8MMP13MMP10
SCHEMBL6868495 0.90 MMP12 (0.55) MMP12MMP2MMP8MMP13MMP10
SCHEMBL14233131 0.90 MMP12 (0.55) MMP12MMP2MMP8MMP13MMP10
SCHEMBL14122822 0.90 MMP12 (0.55) MMP12MMP2MMP8MMP13MMP10
SCHEMBL14122069 0.90 MMP12 (0.55) MMP12MMP2MMP8MMP13MMP10
SCHEMBL6869254 0.87 MMP12 (0.57) MMP12MMP2MMP8MMP13MMP10
SCHEMBL14122466 0.87 MMP12 (0.57) MMP12MMP2MMP8MMP13MMP10
SCHEMBL14122719 0.86 MMP12 (0.69) MMP12MMP2MMP8MMP13MMP10

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-2470514-B1 PSEUDO-DIPEPTIDES AS MMP INHIBITORS COMMISSARIAT L ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2017-07-12 — — EP disclosed
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