SCHEMBL8674882

SCHEMBL8674882

C=C(c1ccccc1OCc1ccccc1)c1ccccc1C(=O)Cl

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 4/20 0.54
NPC1 O15118 1/20 0.51
HTT P42858 1/20 0.51
GAA P10253 1/20 0.50
FAAH O00519 1/20 0.48
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 1/20 0.48
PARP1 P09874 1/20 0.48
PTGER1 P34995 1/20 0.46
FOLH1 Q04609 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL341109 0.88 SGMS2 (0.62) SGMS2NPC1HTTGAAFAAH
SCHEMBL9805921 0.79 SGMS2 (0.57) SGMS2NPC1HTTGAAMEN1
SCHEMBL7774921 0.79 RXRA (0.58) SGMS2NPC1HTTPARP1PTGER1
SCHEMBL28181099 0.79 CHRM4 (0.53) SGMS2NPC1HTTGAAFAAH
SCHEMBL6476026 0.79 SGMS2 (0.52) SGMS2NPC1HTTGAAFAAH
SCHEMBL8677136 0.79 SGMS2 (0.60) SGMS2NPC1HTTGAAMEN1
SCHEMBL27723974 0.78 SGMS2 (0.59) SGMS2NPC1HTTGAAMEN1
SCHEMBL8674677 0.78 PTGER1 (0.54) SGMS2NPC1HTTGAAMEN1
SCHEMBL2331143 0.78 MAPT (0.65) SGMS2NPC1HTTGAAMEN1
SCHEMBL29433417 0.77 SGMS2 (0.66) SGMS2NPC1HTTGAAKMT2A

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-5811459-A PAIN RELIEVERS ZENECA LIMITED (GB) 1998-09-22 US disclosed