SCHEMBL2930388

SCHEMBL2930388

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

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 15/20 0.58
▸ MMP3 P08254 6/20 0.58
▸ MMP9 P14780 4/20 0.58
▸ ADAM17 P78536 1/20 0.58
▸ FCER2 P06734 1/20 0.54
▸ MMP2 P08253 5/20 0.49
▸ MMP7 P09237 1/20 0.49
▸ MMP8 P22894 1/20 0.49
▸ MMP13 P45452 1/20 0.49
▸ ANPEP P15144 1/20 0.47

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) MMP1MMP3MMP9ADAM17FCER2
SCHEMBL2927885 0.87 FCER2 (0.71) MMP1MMP3MMP9ADAM17FCER2
SCHEMBL2929780 0.84 FCER2 (0.64) MMP1MMP3MMP9ADAM17FCER2
SCHEMBL29368148 0.73 MMP1 (1.00) MMP1MMP3MMP9ADAM17MMP2
SCHEMBL6850869 0.73 MMP1 (1.00) MMP1MMP3MMP9ADAM17MMP2
SCHEMBL10451735 0.70 MMP1 (1.00) MMP1MMP3MMP9ADAM17MMP2
SCHEMBL7431945 0.70 LDHA (0.56) MMP1MMP3MMP9ADAM17MMP2
SCHEMBL7431950 0.70 LDHA (0.56) MMP1MMP3MMP9ADAM17MMP2
SCHEMBL10451722 0.69 MMP1 (0.83) MMP1MMP3MMP9ADAM17MMP2
SCHEMBL19200609 0.69 MMP1 (0.51) MMP1MMP3MMP9ADAM17MMP2

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
Send feedback