SCHEMBL9716304

SCHEMBL9716304

CCCCCCCCCCCCCCCCCCOCC(CSCCOC(C)O)Oc1ncccn1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 1/20 0.36
USP2 O75604 1/20 0.35
SPHK1 Q9NYA1 1/20 0.35
HTT P42858 1/20 0.35
LPAR1 Q92633 7/20 0.33
LPAR3 Q9UBY5 7/20 0.33
TLR2 O60603 5/20 0.33
LPAR2 Q9HBW0 4/20 0.33
LPAR5 Q9H1C0 4/20 0.32
LPAR6 P43657 3/20 0.32
LPAR4 Q99677 3/20 0.32
PLA2G2A P14555 2/20 0.31
PLA2G10 O15496 1/20 0.31
PLA2G1B P04054 1/20 0.31
PLA2G5 P39877 1/20 0.31

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
SCHEMBL9716244 0.86 USP2 (0.38) PLA2G4BUSP2HTTLPAR1LPAR3
SCHEMBL9716227 0.85 MEN1 (0.42) PLA2G4BUSP2HTTLPAR1LPAR3
SCHEMBL9716335 0.83 MEN1 (0.40) PLA2G4BUSP2HTTLPAR1LPAR3
SCHEMBL9716315 0.83 PRKD3 (0.40) PLA2G4BUSP2HTTLPAR1LPAR3
SCHEMBL9716269 0.83 PRKD3 (0.37) PLA2G4BUSP2HTTLPAR1LPAR3
Hydrochloric Acid SCHEMBL9716276 0.81 PRKD3 (0.47) PLA2G4B
Hydrochloric Acid SCHEMBL9716239 0.81 PRKD3 (0.46) PLA2G4BTLR2
SCHEMBL9716406 0.79 TLR2 (0.33) PLA2G4BTLR2PLA2G2A
Hydrochloric Acid SCHEMBL9716434 0.78 PLA2G2A (0.31) PLA2G4BPLA2G2A
SCHEMBL9716310 0.77 TLR2 (0.33) PLA2G4BTLR2PLA2G2A

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