SCHEMBL7360937

SCHEMBL7360937

CC(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1N[C@@H]1C(=O)O)c1ccccc1.[NaH]

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 9/20 0.60
MMP8 P22894 8/20 0.60
MMP14 P50281 3/20 0.60
GPR139 Q6DWJ6 1/20 0.51
PSMB5 P28074 5/20 0.50
PSMB1 P20618 2/20 0.50
PSMB2 P49721 2/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 1/20 0.49
MMP2 P08253 2/20 0.47
POLB P06746 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46

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
SCHEMBL8309285 0.98 MMP9 (0.60) MMP9MMP8MMP14GPR139PSMB5
SCHEMBL8305171 0.98 MMP9 (0.60) MMP9MMP8MMP14GPR139PSMB5
SCHEMBL8305167 0.89 MMP9 (0.58) MMP9MMP8MMP14GPR139PSMB5
SCHEMBL8309283 0.89 MMP9 (0.58) MMP9MMP8MMP14GPR139PSMB5
SCHEMBL7361887 0.86 MMP9 (0.55) MMP9MMP8MMP14GPR139PSMB5
SCHEMBL7353746 0.86 MMP9 (0.55) MMP9MMP8MMP14GPR139PSMB5
SCHEMBL7361179 0.85 MME (0.53)
SCHEMBL7354151 0.84 CTSL (0.46) MMP9MMP8MMP14
SCHEMBL7361514 0.84 BACE1 (0.48) MMP8PSMB5MEN1KMT2AMAPT
SCHEMBL7355198 0.82 MEN1 (0.55) MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0753003-A1 AZIRIDINE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-01-15 EP disclosed
WO-1995028416-A1 AZIRIDINE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-10-26 WO disclosed