SCHEMBL6689488

SCHEMBL6689488

C[C@@]1(OC(=O)NO)CN(Cc2ccc(Oc3ccc(F)cc3)cc2)C(=O)N1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 10/20 0.53
MMP1 P03956 9/20 0.53
MMP2 P08253 5/20 0.53
MMP9 P14780 4/20 0.53
MMP3 P08254 3/20 0.53
PLA2G7 Q13093 1/20 0.41
LIPG Q9Y5X9 2/20 0.38
ADAM17 P78536 1/20 0.38
HDAC1 Q13547 3/20 0.38
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 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
SCHEMBL6693372 0.90 MMP1 (0.41) MMP13MMP1MMP2MMP9MMP3
SCHEMBL6689122 0.89 EGLN1 (0.47) MMP13MMP1MMP2MMP9MMP3
SCHEMBL6689090 0.88 MMP1 (0.40) MMP13MMP1MMP2MMP9MMP3
SCHEMBL6701978 0.86 MMP13 (0.56) MMP13MMP1MMP2MMP9MMP3
SCHEMBL6693911 0.84 MMP13 (0.55) MMP13MMP1MMP2MMP9MMP3
SCHEMBL6691004 0.77 MMP13 (0.46) MMP13MMP1MMP2MMP9MMP3
SCHEMBL6691197 0.73 MMP1 (0.45) MMP13MMP1MMP2MMP9MMP3
SCHEMBL6695540 0.73 EGLN1 (0.49) MMP13MMP1MMP2MMP9MMP3
SCHEMBL6697906 0.72 MMP13 (0.69) MMP13MMP1MMP2MMP9MMP3
SCHEMBL6693872 0.72 MMP1 (0.42) MMP13MMP1MMP2MMP9MMP3

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-1134215-B1 2-oxo-imidazolidine-4-carboxylic acid hydroxamine compounds that inhibit matrix metalloproteinases PFIZER PROD INC (US) 2004-10-06 EP claimed