SCHEMBL28860408

SCHEMBL28860408

COC(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](N)CC(C)C

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 13/20 0.57
▸ MMP3 P08254 4/20 0.56
▸ MMP2 P08253 3/20 0.56
▸ MMP9 P14780 2/20 0.56
▸ IL1RN P18510 2/20 0.55
▸ ERAP2 Q6P179 2/20 0.55
▸ ERAP1 Q9NZ08 1/20 0.55
▸ ADAM17 P78536 1/20 0.55
▸ MMP7 P09237 1/20 0.54
▸ MMP8 P22894 1/20 0.54
▸ MMP13 P45452 1/20 0.54
▸ NPY1R P25929 1/20 0.51
▸ NPY4R P50391 1/20 0.51
▸ TSHR P16473 1/20 0.50

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
SCHEMBL11119378 0.90 MMP1 (0.58) MMP1MMP3MMP2MMP9ADAM17
SCHEMBL10349344 0.90 MMP1 (0.58) MMP1MMP3MMP2MMP9IL1RN
SCHEMBL10705472 0.89 MMP1 (0.71) MMP1MMP3MMP2MMP9ADAM17
SCHEMBL12563722 0.87 ALDH1A1 (0.66) TSHR
SCHEMBL17894122 0.87 ALDH1A1 (0.66) TSHR
SCHEMBL17894121 0.87 ALDH1A1 (0.66) TSHR
SCHEMBL10901240 0.87 ALDH1A1 (0.66) TSHR
SCHEMBL8217520 0.87 ALDH1A1 (0.66) TSHR
SCHEMBL16462269 0.87 ALDH1A1 (0.54) MMP1MMP3MMP2MMP9IL1RN
Hydrochloric Acid SCHEMBL11693155 0.86 MMP1 (0.55) MMP1MMP3MMP2MMP9IL1RN

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
CN-108047304-A - 7 selective depressant of metalloproteinases and its preparation method and application 延边大学 2018-05-18 — — CN disclosed
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