SCHEMBL7066901

SCHEMBL7066901

CC(C)(C)OC(=O)N(c1ccc(C(N)=O)cc1)[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.43
PLA2G10 O15496 1/20 0.40
PLA2G2A P14555 1/20 0.40
PRSS1 P07477 1/20 0.40
CTSG P08311 1/20 0.40
CTRB1 P17538 1/20 0.40
CMA1 P23946 1/20 0.40
PARP10 Q53GL7 1/20 0.39
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
ATM Q13315 1/20 0.37
DPP4 P27487 1/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
PARP1 P09874 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL18301525 0.89 SLC7A5 (0.43) SLC7A5PRSS1CTSGCTRB1CMA1
SCHEMBL27563969 0.83 CTSS (0.40) SLC7A5PRSS1CTSGCTRB1CMA1
SCHEMBL7251795 0.83 F2 (0.40) SLC7A5PRSS1CTSGCTRB1CMA1
SCHEMBL7244994 0.83 F2 (0.40) SLC7A5PRSS1CTSGCTRB1CMA1
SCHEMBL23038616 0.83 SLC7A5 (0.37) SLC7A5PRSS1CTSGCTRB1CMA1
SCHEMBL4528518 0.82 CTSS (0.39) SLC7A5ATML3MBTL1ITGA4ITGB7
SCHEMBL15577663 0.81 CTSS (0.44) SLC7A5ITGA4ITGB7ACEPPARG
SCHEMBL6548736 0.78 ITGA4 (0.44) SLC7A5ATML3MBTL1ITGA4ITGB7
SCHEMBL7970300 0.77 SLC7A5 (0.44) SLC7A5ATML3MBTL1ITGA4ITGB7
SCHEMBL8392929 0.77 ATM (0.45) SLC7A5ATML3MBTL1ITGA4ITGB7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0966439-B1 CERTAIN CYCLIC THIO SUBSTITUTED ACYLAMINOACID AMIDE DERIVATIVES NOVARTIS AG (CH) 2003-06-04 EP disclosed
US-6201133-B1 FOR INHIBITING MATRIX-DEGRADING METALLOPROTEINASES IN MAMMALS, TREATING TNF ALPHA AND MATRIX METALLOPROTEINASE DEPENDENT DISEASES OR CONDITIONS, CANCER NOVARTIS AG (CH) 2001-03-13 US disclosed
US-6034136-A METALLOPROTEINASE INHIBITOR NOVARTIS AG (CH) 2000-03-07 US disclosed
EP-0966439-A1 CERTAIN CYCLIC THIO SUBSTITUTED ACYLAMINOACID AMIDE DERIVATIVES Novartis AG (CH) 1999-12-29 EP disclosed
WO-1998042662-A1 CERTAIN CYCLIC THIO SUBSTITUTED ACYLAMINOACID AMIDE DERIVATIVES NOVARTIS AG (CH) 1998-10-01 WO disclosed