SCHEMBL9515947

SCHEMBL9515947

CCCCSc1ccccc1-c1ccccc1SCCCC

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.54
SOAT1 P35610 10/20 0.50
S100A4 P26447 1/20 0.50
TLR8 Q9NR97 1/20 0.47
HTR7 P34969 2/20 0.47
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL8672850 0.89 PTGS2 (0.59) PTGS2SOAT1S100A4TLR8NPC1
SCHEMBL6039859 0.81 PTGS2 (0.43) PTGS2SOAT1S100A4TLR8HTR7
SCHEMBL17038482 0.81 PTGS2 (0.53) PTGS2SOAT1S100A4TLR8NPC1
SCHEMBL7264640 0.81 PTGS2 (0.53) PTGS2SOAT1S100A4TLR8HTR7
SCHEMBL15956232 0.81 PTGS2 (0.57) PTGS2SOAT1S100A4TLR8NPC1
SCHEMBL425178 0.81 TLR8 (0.54) PTGS2SOAT1S100A4TLR8NPC1
SCHEMBL2974208 0.79 PTGS2 (0.51) PTGS2SOAT1S100A4TLR8NPC1
SCHEMBL6039974 0.79 HTR7 (0.59) PTGS2SOAT1S100A4TLR8HTR7
SCHEMBL19002781 0.79 PTGS2 (0.51) PTGS2SOAT1S100A4TLR8NPC1
SCHEMBL28327301 0.79 PTGS2 (0.51) PTGS2SOAT1S100A4TLR8NPC1

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-0345847-B1 PROCESS FOR THE PREPARATION OF POLYMERS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1993-08-04 EP disclosed
EP-0345847-A1 Process for the preparation of polymers SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1989-12-13 EP disclosed