SCHEMBL9716406

SCHEMBL9716406

CCCCCCCCCCCCCCCCCCOCC(CSCCOCCOS(C)(=O)=O)Oc1ncccn1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 4/20 0.33
PLA2G4B P0C869 1/20 0.32
PLA2G2A P14555 2/20 0.32
PLA2G2C Q5R387 1/20 0.30

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
SCHEMBL9716310 0.98 TLR2 (0.33) TLR2PLA2G4BPLA2G2A
SCHEMBL9720221 0.89 PLA2G2A (0.38) TLR2PLA2G2APLA2G2C
SCHEMBL9720263 0.89 PLA2G2A (0.38) TLR2PLA2G2APLA2G2C
SCHEMBL9716332 0.87
SCHEMBL9720198 0.85 PLA2G2A (0.39) PLA2G2APLA2G2C
SCHEMBL9716227 0.84 MEN1 (0.42) TLR2PLA2G4BPLA2G2A
SCHEMBL9716303 0.84 PLA2G4B (0.32) PLA2G4BPLA2G2A
SCHEMBL9716331 0.84
Hydrochloric Acid SCHEMBL9716239 0.83 PRKD3 (0.46) TLR2PLA2G4B
SCHEMBL9716384 0.82 PLA2G2C (0.33) TLR2PLA2G2APLA2G2C

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-5103007-A Antitumor agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-04-07 US disclosed
EP-0378763-A1 Lipids, their production and use Takeda Chemical Industries, Ltd. (JP) 1990-07-25 EP disclosed