SCHEMBL5763401

SCHEMBL5763401

CCC1(Cc2c(N)nc(SC)nc2O)OCCO1

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36

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
SCHEMBL5764671 0.82
SCHEMBL5764595 0.74 DGAT1 (0.30)
SCHEMBL15904085 0.65 HSP90AB1 (0.41) GAA
SCHEMBL8725001 0.63 HSP90AB1 (0.45) GAA
SCHEMBL12819534 0.63
Hydrochloric Acid SCHEMBL4410477 0.62 HSP90AB1 (0.43) GAA
SCHEMBL14306903 0.60 MAPK1 (0.32)
SCHEMBL22011296 0.59 KDM4E (0.35) GAA
SCHEMBL1018739 0.57
SCHEMBL2686771 0.57 CDK2 (0.37)

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
EP-1091738-B1 BICYCLIC sPLA 2 INHIBITORS LILLY CO ELI (US) 2006-12-06 EP disclosed
US-6384041-B1 ANTIINFLAMMATORY AGENT, TREATMENT OF SHOCK AND ENZYME INHIBITORS ELI LILLY AND COMPANY 2002-05-07 US disclosed