SCHEMBL5485913

SCHEMBL5485913

CC(C)C[C@H](C(=O)N1CCNC[C@@]1(C)c1ccc2c(c1)CCO2)[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 4/20 0.38
MMP8 P22894 3/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
MMP13 P45452 2/20 0.37
TAS1R3 Q7RTX0 3/20 0.36
TAS1R1 Q7RTX1 3/20 0.36
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
LTA4H P09960 1/20 0.32

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
SCHEMBL5489951 0.91 TAS1R3 (0.36) TAS1R3TAS1R1SLC6A2SLC6A4ACACB
SCHEMBL5341776 0.87 MMP1 (0.40) MMP2MMP1MMP8TAS1R3TAS1R1
SCHEMBL5379472 0.84 MMP1 (0.39) MMP2MMP1MMP8LTA4HANPEP
SCHEMBL5323550 0.82 MMP2 (0.44) MMP2MMP1MMP8LTA4HANPEP
SCHEMBL5319409 0.80 MMP2 (0.41) MMP2MMP1MMP8SLC6A2SLC6A4
SCHEMBL5403527 0.80 MMP2 (0.43) MMP2MMP1MMP8MMP13LTA4H
SCHEMBL5319634 0.80 MMP2 (0.43) MMP2MMP1MMP8MMP13LTA4H
SCHEMBL5320062 0.80 MMP2 (0.43) MMP2MMP1MMP8MMP13LTA4H
SCHEMBL3868068 0.79 MMP2 (0.42) MMP2MMP1MMP8MMP13LTA4H
SCHEMBL5378455 0.79 MMP2 (0.42) MMP2MMP1MMP8TAS1R3TAS1R1

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