SCHEMBL5378455

SCHEMBL5378455

CCOc1ccc([C@]2(C)CNCCN2C(=O)[C@@H](CC(C)C)[C@H](O)C(=O)NO)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 8/20 0.42
MMP1 P03956 4/20 0.42
MMP8 P22894 2/20 0.42
SLC6A2 P23975 3/20 0.39
SLC6A4 P31645 3/20 0.39
SLC6A3 Q01959 3/20 0.39
MMP9 P14780 5/20 0.35
ANPEP P15144 3/20 0.35
LTA4H P09960 2/20 0.35
LAP3 P28838 1/20 0.35
NPEPPS P55786 1/20 0.35
ERAP2 Q6P179 1/20 0.35
ERAP1 Q9NZ08 1/20 0.35
ADAM17 P78536 6/20 0.35
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
MMP3 P08254 1/20 0.34
MMP7 P09237 1/20 0.34

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
SCHEMBL5319634 0.90 MMP2 (0.43) MMP2MMP1MMP8MMP9ANPEP
SCHEMBL5322497 0.90 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3TAS1R3TAS1R1
SCHEMBL5450417 0.90 MMP2 (0.39) MMP2MMP1MMP8MMP9ANPEP
SCHEMBL5379847 0.88 MMP2 (0.41) MMP2MMP1MMP8MMP9ANPEP
SCHEMBL5323550 0.88 MMP2 (0.44) MMP2MMP1MMP8MMP9ANPEP
SCHEMBL5337780 0.88 MMP8 (0.41) MMP2MMP1MMP8SLC6A2SLC6A4
SCHEMBL5320062 0.86 MMP2 (0.43) MMP2MMP1MMP8MMP9ANPEP
SCHEMBL5403527 0.86 MMP2 (0.43) MMP2MMP1MMP8MMP9ANPEP
SCHEMBL3868068 0.85 MMP2 (0.42) MMP2MMP1MMP8MMP9ANPEP
SCHEMBL5318825 0.85 MMP2 (0.42) MMP2MMP1MMP8MMP9ANPEP

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 disclosed
WO-2006010751-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-02-02 WO disclosed