SCHEMBL19112073

SCHEMBL19112073

NCCCCC(NC(=O)CCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1)C(=O)N[C@@H](CCC(=O)O)C(N)=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP12 P39900 8/20 0.64
▸ MMP2 P08253 7/20 0.64
▸ MMP8 P22894 7/20 0.64
▸ MMP13 P45452 6/20 0.64
▸ MMP10 P09238 5/20 0.56
▸ MMP3 P08254 4/20 0.56
▸ MMP9 P14780 4/20 0.56
▸ MMP14 P50281 2/20 0.56
▸ ROCK2 O75116 1/20 0.49
▸ CALCRL Q16602 2/20 0.49
▸ HPGDS O60760 1/20 0.47
▸ ITGB3 P05106 1/20 0.47
▸ ITGA2B P08514 1/20 0.47
▸ SSTR5 P35346 1/20 0.46
▸ ERAP2 Q6P179 1/20 0.46
▸ ERAP1 Q9NZ08 1/20 0.46
▸ LNPEP Q9UIQ6 1/20 0.46
▸ MME P08473 1/20 0.46
▸ FFAR1 O14842 1/20 0.45
▸ F2 P00734 1/20 0.44

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
SCHEMBL14122875 1.00 MMP12 (0.64) MMP12MMP2MMP8MMP13MMP10
SCHEMBL14122164 1.00 MMP12 (0.64) MMP12MMP2MMP8MMP13MMP10
SCHEMBL6868588 1.00 MMP12 (0.64) MMP12MMP2MMP8MMP13MMP10
SCHEMBL14122758 1.00 MMP12 (0.64) MMP12MMP2MMP8MMP13MMP10
SCHEMBL6869090 1.00 MMP12 (0.64) MMP12MMP2MMP8MMP13MMP10
SCHEMBL6868685 1.00 MMP12 (0.64) MMP12MMP2MMP8MMP13MMP10
SCHEMBL14122841 0.92 MMP12 (0.72) MMP12MMP2MMP8MMP13MMP10
SCHEMBL19111742 0.92 MMP12 (0.72) MMP12MMP2MMP8MMP13MMP10
SCHEMBL6869529 0.92 MMP12 (0.72) MMP12MMP2MMP8MMP13MMP10
SCHEMBL6868541 0.92 MMP12 (0.72) 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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