SCHEMBL8026129

SCHEMBL8026129

[CH2]C(C)CC[C@H](O)C(=O)N(O)C(=O)N[C@H](C(=O)NC)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 18/20 0.40
MMP1 P03956 16/20 0.40
MMP2 P08253 13/20 0.40
MMP9 P14780 10/20 0.40
MMP8 P22894 4/20 0.40
MMP7 P09237 4/20 0.40
MMP13 P45452 3/20 0.40
ADAM17 P78536 3/20 0.40
MMP14 P50281 2/20 0.40
TNF P01375 2/20 0.40
MMP20 O60882 1/20 0.40
ADAMTS4 O75173 1/20 0.40
MMP10 P09238 1/20 0.40
MMP12 P39900 1/20 0.40
MMP15 P51511 1/20 0.40
MMP16 P51512 1/20 0.40
MMP25 Q9NPA2 1/20 0.40
MMP26 Q9NRE1 1/20 0.40
ADAMTS5 Q9UNA0 1/20 0.40
MMP24 Q9Y5R2 1/20 0.40

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
SCHEMBL7513209 0.90 MMP1 (0.44) MMP3MMP1MMP2MMP9MMP8
SCHEMBL9010568 0.81 MMP1 (0.35) MMP3MMP1MMP2MMP9MMP8
SCHEMBL8422654 0.80 MMP1 (0.34) MMP3MMP1MMP2MMP9MMP8
SCHEMBL6435917 0.79 POLB (0.38) MMP3MMP1MMP2MMP9MMP8
SCHEMBL8777490 0.79 POLB (0.38) MMP3MMP1MMP2MMP9MMP8
SCHEMBL8028148 0.78 MMP1 (0.52) MMP3MMP1MMP2MMP9MMP7
SCHEMBL9010562 0.78 ADAM17 (0.34) MMP3MMP1MMP2MMP9MMP8
SCHEMBL8198199 0.78 ADAM17 (0.34) MMP3MMP1MMP2MMP9MMP8
SCHEMBL8424797 0.77 MMP1 (0.32) MMP3MMP1MMP2MMP9MMP8
SCHEMBL8189731 0.77 MMP1 (0.32) MMP3MMP1MMP2MMP9MMP8

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0861226-B1 SYNTHESIS OF CARBOXYLIC ACID DERIVATIVES BRITISH BIOTECH PHARM (GB) 2000-02-23 EP disclosed
US-5986132-A Synthesis of carboxylic acid derivatives BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 1999-11-16 US disclosed
EP-0861226-A1 SYNTHESIS OF CARBOXYLIC ACID DERIVATIVES BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-09-02 EP disclosed
WO-1997019050-A1 SYNTHESIS OF CARBOXYLIC ACID DERIVATIVES BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1997-05-29 WO disclosed