SCHEMBL16388148

SCHEMBL16388148

B[C@H](C)NC(=S)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C1CCCCC1)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 1/20 0.35
▸ MMP8 P22894 1/20 0.35
▸ ADAM17 P78536 1/20 0.35
▸ CTSB P07858 1/20 0.32
▸ METAP2 P50579 1/20 0.31
▸ GLS O94925 1/20 0.31
▸ DPP4 P27487 1/20 0.31

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
SCHEMBL15028136 0.86 DPP4 (0.39) MMP1MMP8ADAM17CTSBMETAP2
SCHEMBL13285826 0.78 DPP4 (0.41) MMP1MMP8ADAM17CTSBMETAP2
SCHEMBL15386492 0.78 DPP4 (0.41) MMP1MMP8ADAM17CTSBMETAP2
SCHEMBL19221622 0.77 MMP1 (0.39) MMP1MMP8ADAM17CTSBMETAP2
SCHEMBL31074241 0.76 DPP4 (0.41) MMP1MMP8ADAM17GLSDPP4
SCHEMBL418389 0.73 MMP1 (0.38) MMP1MMP8ADAM17GLSDPP4
SCHEMBL15087472 0.72 DPP4 (0.41) MMP1MMP8ADAM17GLSDPP4
Hydrochloric Acid SCHEMBL15618895 0.72 MMP1 (0.38) MMP1MMP8ADAM17GLSDPP4
Hydrochloric Acid SCHEMBL15619093 0.72 MMP1 (0.38) MMP1MMP8ADAM17GLSDPP4
Hydrochloric Acid SCHEMBL15618898 0.72 MMP1 (0.38) MMP1MMP8ADAM17GLSDPP4

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
US-8933056-B2 Soft protease inhibitors and pro-soft forms thereof TRUSTEES OF TUFTS COLLEGE (US) 2015-01-13 — — US disclosed
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