SCHEMBL7879149

SCHEMBL7879149

C[C@@H]([C@@H](CCCc1ccc(C(F)(F)F)cc1)C(=O)O)N(O)C=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 2/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
PPARA Q07869 3/20 0.39
PPARD Q03181 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39
PPARG P37231 1/20 0.39
KCNH2 Q12809 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
PDPK1 O15530 1/20 0.38
SRD5A2 P31213 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
FFAR1 O14842 1/20 0.36
UTS2R Q9UKP6 1/20 0.35

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
SCHEMBL7879203 0.89 LMNA (0.41) HDAC1HDAC8KCNH2
SCHEMBL7946312 0.85 DPP4 (0.38) FDFT1PPARAPTGESALOX5PPARG
SCHEMBL4290877 0.85 GRIK1 (0.43) ALOX5MEN1KMT2A
SCHEMBL7879161 0.85 GRIK1 (0.43) ALOX5MEN1KMT2A
SCHEMBL7431816 0.84 PPARA (0.47) HDAC1HDAC8PPARAPPARGMEN1
SCHEMBL7953565 0.83 FDFT1 (0.43) FDFT1HDAC1MMP2FFAR1
SCHEMBL7873373 0.81 LTB4R (0.44) ALOX5KMT2A
SCHEMBL7876532 0.80 LTB4R (0.46) ALOX5
SCHEMBL7874835 0.80 FFAR1 (0.44) FDFT1PPARAPPARDPPARGSRD5A2
SCHEMBL7876539 0.77 SMN1; SMN2 (0.46) KDM4EMEN1KMT2A

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
US-6329400-B1 INHIBITION OR ANTAGONISM OF MATRIX METALLOPROTEASES, AND/OR TUMOR NECROSIS FACTOR-ALPHA; EXTRACELLULAR MATRIX DEGRADATION, INHIBITION OF SHEDDING OF CELL SURFACE PROTEIN ECTODOMAINS AND CD23 PROTEOLYSIS GLAXO WELLCOME INC. 2001-12-11 US disclosed
US-6172064-B1 METALLOPROTEASE INHIBITOR; ANTIARTHRITIC AGENTS, ANTIDIABETIC AGENTS; ANTITUMOR AGENTS GLAXO WELLCOME INC. 2001-01-09 US disclosed