SCHEMBL7879161

SCHEMBL7879161

CC(C(CCCc1ccccc1)C(=O)O)N(O)C=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.43
ALOX5 P09917 1/20 0.42
KMT2A Q03164 2/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 2/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LTB4R Q15722 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
SCHEMBL4290877 1.00 GRIK1 (0.43) GRIK1ALOX5KMT2ACYP2D6CYP2C9
SCHEMBL7873373 0.96 LTB4R (0.44) ALOX5KMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL7876532 0.95 LTB4R (0.46) ALOX5LTB4R
SCHEMBL7953565 0.92 FDFT1 (0.43)
SCHEMBL7876539 0.92 SMN1; SMN2 (0.46) KMT2ACYP2C9CYP2C19HPGDMEN1
SCHEMBL7946312 0.89 DPP4 (0.38) ALOX5KMT2ALMNA
SCHEMBL7874835 0.89 FFAR1 (0.44)
SCHEMBL7431816 0.88 PPARA (0.47) KMT2ALMNAMEN1HTT
SCHEMBL7879247 0.86 GRIK1 (0.41) GRIK1ALOX5KMT2ACYP2D6CYP2C9
SCHEMBL7879203 0.86 LMNA (0.41) LMNA

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