SCHEMBL3869470

SCHEMBL3869470

CC(C)CC(C(=O)N1CCN(c2ccc(-c3ccc(F)cc3)cc2)C[C@H]1C)C(O)C(=O)NO

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.43
MMP1 P03956 1/20 0.43
MMP8 P22894 1/20 0.43
CHRM4 P08173 1/20 0.40
FAAH O00519 2/20 0.39
MAPT P10636 1/20 0.39
RECQL P46063 1/20 0.39
KIT P10721 4/20 0.37
MMP9 P14780 2/20 0.36
ANPEP P15144 2/20 0.36
LTA4H P09960 1/20 0.36
LAP3 P28838 1/20 0.36
NPEPPS P55786 1/20 0.36
ERAP2 Q6P179 1/20 0.36
ERAP1 Q9NZ08 1/20 0.36
MAPK1 P28482 2/20 0.36

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
SCHEMBL2242198 1.00 MMP2 (0.43) MMP2MMP1MMP8CHRM4FAAH
SCHEMBL2244313 0.91 MMP2 (0.44) MMP2MMP1MMP8MMP9ANPEP
SCHEMBL2249536 0.91 MMP2 (0.44) MMP2MMP1MMP8CHRM4MMP9
SCHEMBL3872566 0.91 MMP2 (0.44) MMP2MMP1MMP8CHRM4MMP9
SCHEMBL2252345 0.89 FAAH (0.42) CHRM4FAAHMAPTRECQLKIT
SCHEMBL2251429 0.89 FAAH (0.42) MMP2MMP1MMP8FAAHMMP9
SCHEMBL2246944 0.88 MMP2 (0.46) MMP2MMP1MMP8CHRM4MAPT
SCHEMBL2244374 0.87 MMP2 (0.46) MMP2MMP1MMP8MMP9ANPEP
SCHEMBL2241937 0.87 MMP2 (0.46) MMP2MMP1MMP8MMP9ANPEP
SCHEMBL2246852 0.86 FAAH (0.44) MMP2MMP1MMP8FAAHMAPT

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
EP-1771421-B1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF SERONO LAB (CH) 2009-04-29 EP claimed