SCHEMBL7873373

SCHEMBL7873373

C[C@@H]([C@@H](CCCCc1ccccc1)C(=O)O)N(O)C=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 3/20 0.44
ALOX5 P09917 2/20 0.44
KMT2A Q03164 2/20 0.41
TRPA1 O75762 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
S1PR2 O95136 1/20 0.40
S1PR4 O95977 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 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
SCHEMBL7876532 0.99 LTB4R (0.46) LTB4RALOX5TRPA1S1PR2S1PR4
SCHEMBL4290877 0.96 GRIK1 (0.43) LTB4RALOX5KMT2AHPGDCYP2D6
SCHEMBL7879161 0.96 GRIK1 (0.43) LTB4RALOX5KMT2AHPGDCYP2D6
SCHEMBL7876539 0.90 SMN1; SMN2 (0.46) KMT2AALDH1A1HPGDCYP2C9CYP2C19
SCHEMBL7953565 0.88 FDFT1 (0.43)
SCHEMBL7946312 0.85 DPP4 (0.38) ALOX5KMT2AS1PR2S1PR4S1PR1
SCHEMBL7874835 0.85 FFAR1 (0.44)
SCHEMBL7431816 0.84 PPARA (0.47) KMT2AALDH1A1
SCHEMBL7868080 0.83 TLL1 (0.43) LTB4RALOX5TRPA1
SCHEMBL7879247 0.83 GRIK1 (0.41) LTB4RALOX5KMT2AHPGDCYP2D6

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