SCHEMBL2929780

SCHEMBL2929780

CN[C@@H](Cc1ccc(OC)cc1)C(=O)NC(=O)C(CC(C)C)C(CSc1ccccc1)C(=O)NO

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FCER2 P06734 13/20 0.64
▸ MMP1 P03956 11/20 0.64
▸ ADAM17 P78536 3/20 0.64
▸ MMP9 P14780 5/20 0.58
▸ MMP2 P08253 5/20 0.58
▸ MMP3 P08254 3/20 0.52
▸ MMP7 P09237 2/20 0.50
▸ MMP8 P22894 2/20 0.50
▸ MMP13 P45452 2/20 0.50
▸ MMP14 P50281 2/20 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
SCHEMBL2924219 0.89 MMP1 (0.57) FCER2MMP1ADAM17MMP9MMP2
SCHEMBL2930388 0.84 MMP1 (0.58) FCER2MMP1ADAM17MMP9MMP2
SCHEMBL13274326 0.78 FCER2 (1.00) FCER2MMP1ADAM17MMP9MMP2
SCHEMBL6838720 0.78 FCER2 (1.00) FCER2MMP1ADAM17MMP9MMP2
SCHEMBL2927885 0.77 FCER2 (0.71) FCER2MMP1ADAM17MMP9MMP2
SCHEMBL7308337 0.70 MMP9 (0.55) FCER2MMP1ADAM17MMP9MMP2
SCHEMBL6850869 0.68 MMP1 (1.00) MMP1ADAM17MMP9MMP2MMP3
SCHEMBL29368148 0.68 MMP1 (1.00) MMP1ADAM17MMP9MMP2MMP3
SCHEMBL3498576 0.68 FCER2 (0.81) FCER2MMP1ADAM17MMP9MMP2
SCHEMBL18435374 0.68 NPC1 (0.59) —

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1234875-B1 NOVEL METALLOPROTEASE HAVING AGGRECANASE ACTIVITY ASTELLAS PHARMA INC (JP) 2010-01-27 — — EP disclosed
US-20040142445-A1 Novel metalloprotease having aggrecanase activity YAMANOUCHI PHARMACEUTICAL CO., LTD. 2004-07-22 — — US disclosed
US-6716613-B1 JOINT DISEASES YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-06 — — US disclosed
EP-1234875-A1 NOVEL METALLOPROTEASE HAVING AGGRECANASE ACTIVITY YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2002-08-28 — — EP disclosed
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