SCHEMBL7873355

SCHEMBL7873355

CC(CC[C@@H](C(=O)O)[C@H](C)N(O)C=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.40
RIPK1 Q13546 1/20 0.38
CYP2D6 P10635 1/20 0.37
TRPA1 O75762 3/20 0.36
TAAR1 Q96RJ0 2/20 0.35
AOC3 Q16853 1/20 0.35
APAF1 O14727 1/20 0.35
GAA P10253 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
SCHEMBL7876539 0.81 SMN1; SMN2 (0.46)
SCHEMBL7879161 0.79 GRIK1 (0.43) ALOX5CYP2D6
SCHEMBL4290877 0.79 GRIK1 (0.43) ALOX5CYP2D6
SCHEMBL7873373 0.78 LTB4R (0.44) ALOX5CYP2D6TRPA1
SCHEMBL7953565 0.75 FDFT1 (0.43)
SCHEMBL7874826 0.74 CTSB (0.42) ALOX5CYP2D6
SCHEMBL7956778 0.73 HTR2A (0.46)
SCHEMBL7956781 0.73 HTR2A (0.46)
SCHEMBL7593804 0.72 ALOX5 (0.53) ALOX5CYP2D6
SCHEMBL5949584 0.72 ALOX5 (0.53) ALOX5CYP2D6

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-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