SCHEMBL10469799

SCHEMBL10469799

COc1cc(CCc2ccc(C3=NCc4nnc(C)n4-c4sc(CCC(=O)O)cc43)cc2)cc(OC)c1OC

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 18/20 0.51
CYP3A4 P08684 1/20 0.49
ALOX15 P16050 1/20 0.49
OPRK1 P41145 1/20 0.44
PDE4D Q08499 1/20 0.44
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL9864381 0.88 OPRK1 (0.57) PTAFRCYP3A4ALOX15OPRK1PDE4D
SCHEMBL10471631 0.86 PTAFR (0.44) PTAFRCYP3A4ALOX15OPRK1PDE4D
SCHEMBL9663031 0.84 PTAFR (0.62) PTAFRCYP3A4ALOX15OPRK1PDE4D
SCHEMBL9864060 0.81 PTAFR (0.45) PTAFROPRK1PDE4DALDH1A1LMNA
SCHEMBL10471633 0.78 PTAFR (0.42) PTAFRCYP3A4ALOX15OPRK1PDE4D
SCHEMBL9661420 0.78 PTAFR (0.65) PTAFRCYP3A4ALOX15OPRK1PDE4D
SCHEMBL10471634 0.77 PTAFR (0.39) PTAFRCYP3A4ALOX15OPRK1PDE4D
SCHEMBL8928418 0.77 PTAFR (0.77) PTAFRCYP3A4ALOX15OPRK1PDE4D
SCHEMBL9525615 0.76 PTAFR (0.54) PTAFRCYP3A4ALOX15OPRK1PDE4D
SCHEMBL9521929 0.76 PTAFR (0.54) PTAFRCYP3A4ALOX15OPRK1PDE4D

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-4914096-A INHIBITORS OF PLATELET ACTIVATING FACTOR SANDOZ PHARMACEUTICALS CORP. (US) 1990-04-03 US disclosed