SCHEMBL8204401

SCHEMBL8204401

CCCCC(CCCC(=O)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@H](O)[C@@H]1OC(=O)CCCC(CCCC)C(=O)O)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HINT1 P49773 7/20 0.58
GSK3A P49840 2/20 0.52
RPS6KA3 P51812 2/20 0.52
MAPK14 Q16539 2/20 0.52
PNP P00491 1/20 0.50
KRAS P01116 5/20 0.49
NT5E P21589 1/20 0.49
TGM2 P21980 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
FUT5 Q11128 1/20 0.45
TAAR1 Q96RJ0 1/20 0.44

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
SCHEMBL8521566 0.95 HINT1 (0.59) HINT1GSK3ARPS6KA3MAPK14PNP
SCHEMBL5367078 0.93 HINT1 (0.67) HINT1GSK3ARPS6KA3MAPK14PNP
SCHEMBL8446274 0.88 HINT1 (0.58) HINT1GSK3ARPS6KA3MAPK14PNP
SCHEMBL5346021 0.88 HINT1 (0.68) HINT1GSK3ARPS6KA3MAPK14PNP
SCHEMBL5356827 0.84 HINT1 (0.73) HINT1GSK3ARPS6KA3MAPK14PNP
SCHEMBL5355030 0.84 HINT1 (0.73) HINT1GSK3ARPS6KA3MAPK14PNP
SCHEMBL5347800 0.84 HINT1 (0.73) HINT1GSK3ARPS6KA3MAPK14PNP
SCHEMBL5347821 0.84 HINT1 (0.73) HINT1GSK3ARPS6KA3MAPK14PNP
SCHEMBL5352845 0.83 HINT1 (0.67) HINT1GSK3ARPS6KA3MAPK14PNP
SCHEMBL8204402 0.82 HINT1 (0.48) HINT1GSK3ARPS6KA3MAPK14PNP

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-6054441-A Antiinflammatory agents; treatment of bacterial, viral or fungal infections; autoimmune diseases PRO-NEURON, INC. (US) 2000-04-25 US disclosed