SCHEMBL5347140

SCHEMBL5347140

CC(C)C[C@H](C(=O)N1CCNC[C@]1(C)c1cc(C(F)(F)F)ccn1)[C@H](O)C(=O)NO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.38
MMP1 P03956 3/20 0.38
MMP8 P22894 2/20 0.38
ADRB1 P08588 1/20 0.33
MMP3 P08254 2/20 0.33
MMP7 P09237 2/20 0.33
TRPV3 Q8NET8 1/20 0.33
ANPEP P15144 3/20 0.32
LTA4H P09960 2/20 0.32
ADAM17 P78536 3/20 0.32
MMP9 P14780 3/20 0.31
LAP3 P28838 1/20 0.31
NPEPPS P55786 1/20 0.31
ERAP2 Q6P179 1/20 0.31
ERAP1 Q9NZ08 1/20 0.31
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CTSK P43235 1/20 0.31
MAP3K12 Q12852 2/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL5334753 0.88 MMP2 (0.41) MMP2MMP1MMP8MMP3MMP7
SCHEMBL5345342 0.85 MMP2 (0.44) MMP2MMP1MMP8MMP3MMP7
SCHEMBL5323562 0.85 MMP2 (0.42) MMP2MMP1MMP8MMP3MMP7
SCHEMBL5450417 0.80 MMP2 (0.39) MMP2MMP1MMP8MMP3MMP7
SCHEMBL5320650 0.80 MMP2 (0.41) MMP2MMP1MMP8MMP3MMP7
SCHEMBL5319597 0.80 MMP2 (0.41) MMP2MMP1MMP8MMP3MMP7
SCHEMBL5337780 0.78 MMP8 (0.41) MMP2MMP1MMP8MMP3MMP7
SCHEMBL5341256 0.78 MMP2 (0.39) MMP2MMP1MMP8MMP3MMP7
SCHEMBL5462225 0.77 MMP2 (0.39) MMP2MMP1MMP8MMP3MMP7
SCHEMBL5320212 0.77 MMP2 (0.43) MMP2MMP1MMP8MMP3MMP7

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-1771421-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF Applied Research Systems ARS Holding N.V. (AN) 2007-04-11 EP claimed
WO-2006010751-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-02-02 WO claimed