SCHEMBL9744954

SCHEMBL9744954

CC(NC(C(=O)OC(C)(C)C)C1CCCCC1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPR3 P17342 1/20 0.41
CA12 O43570 3/20 0.39
CA14 Q9ULX7 1/20 0.39
GAA P10253 1/20 0.38
EPHX1 P07099 2/20 0.37
MMP2 P08253 5/20 0.36
MMP1 P03956 4/20 0.36
MMP3 P08254 4/20 0.36
MMP7 P09237 4/20 0.36
MMP13 P45452 4/20 0.36
BTK Q06187 1/20 0.35
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
AAK1 Q2M2I8 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
KMT2A Q03164 1/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33

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
SCHEMBL9744960 1.00 NPR3 (0.41) NPR3CA12CA14GAAEPHX1
SCHEMBL12658457 0.76 AAK1 (0.47) CA12CA14GAAEPHX1BTK
SCHEMBL27338949 0.75 GAA (0.38) NPR3CA12CA14GAAEPHX1
SCHEMBL2810319 0.75 NPR3 (0.39) NPR3GAAEPHX1MMP2MMP1
SCHEMBL27799064 0.74 GAA (0.40) NPR3GAAEPHX1BTKCTSS
SCHEMBL1634930 0.74 GAA (0.40) NPR3GAAEPHX1BTKCTSS
SCHEMBL5267768 0.74 EPHX1 (0.44) NPR3CA12CA14GAAEPHX1
SCHEMBL23005710 0.74 CTSS (0.47) GAAEPHX1MMP2MMP1MMP3
SCHEMBL22125910 0.74 CTSS (0.47) GAAEPHX1MMP2MMP1MMP3
SCHEMBL844823 0.74 CTSS (0.47) GAAEPHX1MMP2MMP1MMP3

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
US-5128448-A Peptide hormones HOFFMAN-LA ROCHE INC. (US) 1992-07-07 US disclosed